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Heterocyclic compounds

SimCP

Also known as 9,9'-(5-(Triphenylsilyl)-1,3-phenylene)bis(9H-carbazole), 9,9'-[5-(Triphenylsilyl)-1,3-phenylene]bis-9H-carbazole, [3,5-di(carbazol-9-yl)phenyl]-triphenylsilane

CAS 850221-63-5Formula C48H34N2SiMolar mass 666.90 g/mol
1 supplier listed
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SimCP chemical structure, C48H34N2Si, CAS 850221-63-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
850221-63-5
Formula
C48H34N2Si
Molar mass
666.90 g/mol
HS code
293399
Category
Heterocyclic compounds

What is SimCP?

Plain description, key identifiers and synonyms

SimCP is a chemical substance with the molecular formula C48H34N2Si and a molar mass of 666.90 g/mol. Its CAS registry number is 850221-63-5. The IUPAC name is [3,5-di(carbazol-9-yl)phenyl]-triphenylsilane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CAS number
850221-63-5 CAS number cross-checked
Molecular formula
C48H34N2Si
MDL number
MFCD12022485
InChIKey
GWFGARXUJNKOMY-UHFFFAOYSA-N
InChI
InChI=1S/C48H34N2Si/c1-4-18-37(19-5-1)51(38-20-6-2-7-21-38,39-22-8-3-9-23-39)40-33-35(49-45-28-14-10-24-41(45)42-25-11-15-29-46(42)49)32-36(34-40)50-47-30-16-12-26-43(47)44-27-13-17-31-48(44)50/h1-34H
SMILES (canonical and isomeric)
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC(=CC(=C4)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18

Synonyms

  • 9,9'-(5-(Triphenylsilyl)-1,3-phenylene)bis(9H-carbazole)
  • 9,9'-[5-(Triphenylsilyl)-1,3-phenylene]bis-9H-carbazole
  • [3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
  • 9-[3-(9H-Carbazol-9-yl)-5-(triphenylsilyl)phenyl]-9H-carbazole
  • 3,5-bis(9-carbazolyl)tetraphenylsilan
  • 3,5-bis(9-carbazolyl)tetraphenylsilane
  • 9,9'-(5-(Triphenylsilyl)-1,3-phenylene)bis(9H-carbazole
  • 9,9'-[5-(Triphenylsilyl)-1,3-phenylene]di(9H-carbazole)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
666.90 g/molcalc.
Exact mass
666.2491 Dacalc.
LogP (octanol/water)
9.26calc.
Topological polar surface area
9.86 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
6calc.
Heavy atoms
51calc.
Rings
10calc.
Aromatic rings
10calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1

c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1

10 rings, 51 atoms. This chemical is the scaffold itself.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

SimCP suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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  • Noctiluca S A
    Poland, Toruń ManufacturerUnclaimed profile
    SimCPGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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SimCP price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code SimCP is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for SimCP is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about SimCP, based on the data on this page

What is SimCP?

SimCP is a chemical substance with the molecular formula C48H34N2Si and a molar mass of 666.90 g/mol. Its CAS registry number is 850221-63-5. The IUPAC name is [3,5-di(carbazol-9-yl)phenyl]-triphenylsilane.

What is the CAS number of SimCP?

The CAS registry number of SimCP is 850221-63-5.

What is the molecular formula and weight of SimCP?

The molecular formula of SimCP is C48H34N2Si and its molar mass is 666.90 g/mol.

Is SimCP hazardous?

No GHS hazard classification for SimCP is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of SimCP?

SimCP is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy SimCP?

CompoundList lists 1 supplier of SimCP in Poland. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of SimCP?

Suppliers quote SimCP on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle SimCP

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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