3-bromo-9-(4-phenylphenyl)carbazole

C24H16BrN — CID 53401105

IUPAC3-bromo-9-(4-phenylphenyl)carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H16BrN/c25-19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16H
InChIKeyMOCNGNGLTRMQQH-UHFFFAOYSA-N
MW398.30 g/mol
LogP7.21
Rot. Bonds2

About 3-bromo-9-(4-phenylphenyl)carbazole

3-bromo-9-(4-phenylphenyl)carbazole (PubChem CID 53401105) has the molecular formula C24H16BrN and a molecular weight of 398.30 g/mol. Its IUPAC name is 3-bromo-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-bromo-9-(4-phenylphenyl)carbazole
PubChem CID53401105
Molecular FormulaC24H16BrN
Molecular Weight398.30 g/mol
Exact Mass397.05
IUPAC Name3-bromo-9-(4-phenylphenyl)carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H16BrN/c25-19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16H
InChIKeyMOCNGNGLTRMQQH-UHFFFAOYSA-N
XLogP7.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-bromo-9-(4-phenylphenyl)carbazole (CID 53401105) is 3-bromo-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-bromo-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-bromo-9-(4-phenylphenyl)carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-bromo-9-(4-phenylphenyl)carbazole?
The InChIKey is MOCNGNGLTRMQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN/c25-19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16H.
What are the key properties of 3-bromo-9-(4-phenylphenyl)carbazole?
3-bromo-9-(4-phenylphenyl)carbazole has a molecular weight of 398.30 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 53401105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).