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Aromatic building blocks

Circumcoronene

CAS 72210-95-8Formula C54H18Molar mass 666.74 g/mol
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Circumcoronene chemical structure, C54H18, CAS 72210-95-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72210-95-8
Formula
C54H18
Molar mass
666.74 g/mol
HS code
290290
Category
Aromatic building blocks

What is Circumcoronene?

Plain description, key identifiers and synonyms

Circumcoronene is an ortho- and peri-fused polycyclic arene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentaconta-1(53),2,4,6(43),7,9,11(40),12,14,16(37),17,19(36),20,22,24(33),25,27,29,31,34,38,41,44,46,48,50,52(54)-heptacosaene
CAS number
72210-95-8
Molecular formula
C54H18
InChIKey
ICKDBJSKNOTKDQ-UHFFFAOYSA-N
InChI
InChI=1S/C54H18/c1-2-20-14-22-5-6-24-16-26-9-11-29-18-30-12-10-28-17-27-8-7-25-15-23-4-3-21-13-19(1)31-32(20)44-34(22)36(24)46-39(26)41(29)48-42(30)40(28)47-38(27)37(25)45-35(23)33(21)43(31)49-50(44)52(46)54(48)53(47)51(45)49/h1-18H
SMILES (canonical and isomeric)
C1=CC2=CC3=C4C5=C6C7=C(C=CC8=CC9=C%10C%11=C(C=C9)C=C9C=CC%12=C%13C9=C%11C9=C%11C%13=C%13C(=C%12)C=CC%12=C%13C%13=C%11C(=C4C2=C%13C1=C%12)C6=C9C%10=C87)C=C5C=C3

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
666.74 g/molcalc.
Exact mass
666.1409 Dacalc.
LogP (octanol/water)
15.7calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
54calc.
Rings
19calc.
Aromatic rings
19calc.
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, c1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10cc%11ccc%12cc1c1c2c2c3c4c3c5c6c4c7c8c5c9c%10c6c%11c%12c1c1c2c3c4c5c61

c1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10cc%11ccc%12cc1c1c2c2c3c4c3c5c6c4c7c8c5c9c%10c6c%11c%12c1c1c2c3c4c5c61

19 rings, 54 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.

Circumcoronene suppliers

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Circumcoronene 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 Circumcoronene is traded under.

HS 2902.90Indicative HS code

Cyclic hydrocarbons, other

World exports in 2024
$612M
−6.1% vs 2023, imports $670M
2019 to 2024
Top exporters
  1. China28.0%
  2. Germany13.9%
  3. India * partner reported12.6%
Top importers
  1. Germany11.1%
  2. United States10.6%
  3. South Korea8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Circumcoronene?

Circumcoronene is an ortho- and peri-fused polycyclic arene.

What is the CAS number of Circumcoronene?

The CAS registry number of Circumcoronene is 72210-95-8.

What is the molecular formula and weight of Circumcoronene?

The molecular formula of Circumcoronene is C54H18 and its molar mass is 666.74 g/mol.

What is Circumcoronene used for?

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

Is Circumcoronene hazardous?

No GHS hazard classification for Circumcoronene 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 Circumcoronene?

Circumcoronene is usually classified under HS code 290290 (Cyclic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Circumcoronene?

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

What is the price of Circumcoronene?

Suppliers quote Circumcoronene 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 Circumcoronene

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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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