2,3,6,7,10,11-hexabromotriphenylene

C18H6Br6 — CID 11083045

IUPAC2,3,6,7,10,11-hexabromotriphenylene
SMILESBrc1cc2c3cc(Br)c(Br)cc3c3cc(Br)c(Br)cc3c2cc1Br
InChIInChI=1S/C18H6Br6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H
InChIKeyGLHQUXLCQLQNPZ-UHFFFAOYSA-N
MW701.67 g/mol
LogP9.72
Rot. Bonds

About 2,3,6,7,10,11-hexabromotriphenylene

2,3,6,7,10,11-hexabromotriphenylene (PubChem CID 11083045) has the molecular formula C18H6Br6 and a molecular weight of 701.67 g/mol. Its IUPAC name is 2,3,6,7,10,11-hexabromotriphenylene.

Molecular Properties

Compound Name2,3,6,7,10,11-hexabromotriphenylene
PubChem CID11083045
Molecular FormulaC18H6Br6
Molecular Weight701.67 g/mol
Exact Mass695.56
IUPAC Name2,3,6,7,10,11-hexabromotriphenylene
SMILESBrc1cc2c3cc(Br)c(Br)cc3c3cc(Br)c(Br)cc3c2cc1Br
InChIInChI=1S/C18H6Br6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H
InChIKeyGLHQUXLCQLQNPZ-UHFFFAOYSA-N
XLogP9.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.67
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,10,11-hexabromotriphenylene?
The IUPAC name of 2,3,6,7,10,11-hexabromotriphenylene (CID 11083045) is 2,3,6,7,10,11-hexabromotriphenylene.
What is the SMILES notation for 2,3,6,7,10,11-hexabromotriphenylene?
The canonical SMILES for 2,3,6,7,10,11-hexabromotriphenylene is Brc1cc2c3cc(Br)c(Br)cc3c3cc(Br)c(Br)cc3c2cc1Br.
What is the InChIKey of 2,3,6,7,10,11-hexabromotriphenylene?
The InChIKey is GLHQUXLCQLQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Br6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H.
What are the key properties of 2,3,6,7,10,11-hexabromotriphenylene?
2,3,6,7,10,11-hexabromotriphenylene has a molecular weight of 701.67 g/mol, XLogP of 9.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,10,11-hexabromotriphenylene is sourced from PubChem (CID 11083045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).