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Aromatic building blocks

Orb3174312

Formula C46H58Cl3NO6Molar mass 827.33 g/mol
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Orb3174312 chemical structure, C46H58Cl3NO6
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C46H58Cl3NO6
Molar mass
827.33 g/mol
HS code
292219
Category
Aromatic building blocks

What is Orb3174312?

Plain description, key identifiers and synonyms

Orb3174312 is a chemical substance with the molecular formula C46H58Cl3NO6 and a molar mass of 827.33 g/mol. The IUPAC name is 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol, (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol, (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Molecular formula
C46H58Cl3NO6
InChIKey
ZVAQGQOEHFIYMQ-UGOKYLLISA-N
InChI
InChI=1S/C30H32Cl3NO.C16H26O5/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28;1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3;9-14H,5-8H2,1-4H3/b25-15-;/t;9-,10-,11+,12+,13+,14-,15-,16-/m.1/s1
Canonical SMILES
CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2=Cc1ccc(Cl)cc1.COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3
Isomeric SMILES
CCCCN(CCCC)CC(C1=CC(=CC\2=C1C3=C(/C2=C/C4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O.C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C

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
827.33 g/molcalc.
Exact mass
825.333 Dacalc.
LogP (octanol/water)
11.99calc.
Topological polar surface area
69.62 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
11calc.
Heavy atoms
56calc.
Rings
9calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
9calc.
Components
2calc.
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, C(=C1c2ccccc2-c2ccccc21)c1ccccc1

C(=C1c2ccccc2-c2ccccc21)c1ccccc1

4 rings, 20 atoms, the 9-Benzylidenefluorene ring system.

84 other chemicals share 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.

Orb3174312 suppliers

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Orb3174312 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 Orb3174312 is traded under.

HS 2922.19Indicative HS code

Amino-alcohols, other than those containing more than one kind of oxygen function, their…

World exports in 2024
$2.2B
−4.7% vs 2023, imports $2.27B
2019 to 2024
Top exporters
  1. China21.7%
  2. Germany17.3%
  3. United States15.6%
Top importers
  1. India * partner reported11.0%
  2. United States9.0%
  3. Germany7.2%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3174312 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3174312, based on the data on this page

What is Orb3174312?

Orb3174312 is a chemical substance with the molecular formula C46H58Cl3NO6 and a molar mass of 827.33 g/mol.

What is the molecular formula and weight of Orb3174312?

The molecular formula of Orb3174312 is C46H58Cl3NO6 and its molar mass is 827.33 g/mol.

What is Orb3174312 used for?

Known uses and roles of Orb3174312 include building blocks in research and laboratory.

Is Orb3174312 hazardous?

No GHS hazard classification for Orb3174312 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 Orb3174312?

Orb3174312 is usually classified under HS code 292219 (Amino-alcohols, other than those containing more than one kind of oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3174312?

Post a free request on CompoundList and suppliers of Orb3174312 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3174312?

Suppliers quote Orb3174312 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 Orb3174312

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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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