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

C30H20BrN — CID 59728582

IUPAC3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H20BrN/c31-25-15-10-23(11-16-25)24-14-19-30-28(20-24)27-8-4-5-9-29(27)32(30)26-17-12-22(13-18-26)21-6-2-1-3-7-21/h1-20H
InChIKeyAZGVZMFTHCOVID-UHFFFAOYSA-N
MW474.40 g/mol
LogP8.88
Rot. Bonds3

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

3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole (PubChem CID 59728582) has the molecular formula C30H20BrN and a molecular weight of 474.40 g/mol. Its IUPAC name is 3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole
PubChem CID59728582
Molecular FormulaC30H20BrN
Molecular Weight474.40 g/mol
Exact Mass473.08
IUPAC Name3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H20BrN/c31-25-15-10-23(11-16-25)24-14-19-30-28(20-24)27-8-4-5-9-29(27)32(30)26-17-12-22(13-18-26)21-6-2-1-3-7-21/h1-20H
InChIKeyAZGVZMFTHCOVID-UHFFFAOYSA-N
XLogP8.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.40
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole (CID 59728582) is 3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole is Brc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole?
The InChIKey is AZGVZMFTHCOVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrN/c31-25-15-10-23(11-16-25)24-14-19-30-28(20-24)27-8-4-5-9-29(27)32(30)26-17-12-22(13-18-26)21-6-2-1-3-7-21/h1-20H.
What are the key properties of 3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole?
3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole has a molecular weight of 474.40 g/mol, XLogP of 8.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 59728582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).