9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole

C32H21BrN2 — CID 90062472

IUPAC9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole
SMILESBrc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C32H21BrN2/c33-24-14-15-30-28(21-24)32-27-18-19-34(25-11-5-2-6-12-25)29(27)16-17-31(32)35(30)26-13-7-10-23(20-26)22-8-3-1-4-9-22/h1-21H
InChIKeyWBKWQRXECARZDT-UHFFFAOYSA-N
MW513.44 g/mol
LogP9.16
Rot. Bonds3

About 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole

9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole (PubChem CID 90062472) has the molecular formula C32H21BrN2 and a molecular weight of 513.44 g/mol. Its IUPAC name is 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole
PubChem CID90062472
Molecular FormulaC32H21BrN2
Molecular Weight513.44 g/mol
Exact Mass512.09
IUPAC Name9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole
SMILESBrc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C32H21BrN2/c33-24-14-15-30-28(21-24)32-27-18-19-34(25-11-5-2-6-12-25)29(27)16-17-31(32)35(30)26-13-7-10-23(20-26)22-8-3-1-4-9-22/h1-21H
InChIKeyWBKWQRXECARZDT-UHFFFAOYSA-N
XLogP9.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.44
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole?
The IUPAC name of 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole (CID 90062472) is 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole.
What is the SMILES notation for 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole?
The canonical SMILES for 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole is Brc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole?
The InChIKey is WBKWQRXECARZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN2/c33-24-14-15-30-28(21-24)32-27-18-19-34(25-11-5-2-6-12-25)29(27)16-17-31(32)35(30)26-13-7-10-23(20-26)22-8-3-1-4-9-22/h1-21H.
What are the key properties of 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole?
9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole has a molecular weight of 513.44 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3-phenyl-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole is sourced from PubChem (CID 90062472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).