2-(3-bromophenyl)-9-phenylcarbazole

C24H16BrN — CID 90216112

IUPAC2-(3-bromophenyl)-9-phenylcarbazole
SMILESBrc1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1
InChIInChI=1S/C24H16BrN/c25-19-8-6-7-17(15-19)18-13-14-22-21-11-4-5-12-23(21)26(24(22)16-18)20-9-2-1-3-10-20/h1-16H
InChIKeyXMWPKULWCGCHTA-UHFFFAOYSA-N
MW398.30 g/mol
LogP7.21
Rot. Bonds2

About 2-(3-bromophenyl)-9-phenylcarbazole

2-(3-bromophenyl)-9-phenylcarbazole (PubChem CID 90216112) has the molecular formula C24H16BrN and a molecular weight of 398.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-9-phenylcarbazole
PubChem CID90216112
Molecular FormulaC24H16BrN
Molecular Weight398.30 g/mol
Exact Mass397.05
IUPAC Name2-(3-bromophenyl)-9-phenylcarbazole
SMILESBrc1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1
InChIInChI=1S/C24H16BrN/c25-19-8-6-7-17(15-19)18-13-14-22-21-11-4-5-12-23(21)26(24(22)16-18)20-9-2-1-3-10-20/h1-16H
InChIKeyXMWPKULWCGCHTA-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 2-(3-bromophenyl)-9-phenylcarbazole?
The IUPAC name of 2-(3-bromophenyl)-9-phenylcarbazole (CID 90216112) is 2-(3-bromophenyl)-9-phenylcarbazole.
What is the SMILES notation for 2-(3-bromophenyl)-9-phenylcarbazole?
The canonical SMILES for 2-(3-bromophenyl)-9-phenylcarbazole is Brc1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-9-phenylcarbazole?
The InChIKey is XMWPKULWCGCHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN/c25-19-8-6-7-17(15-19)18-13-14-22-21-11-4-5-12-23(21)26(24(22)16-18)20-9-2-1-3-10-20/h1-16H.
What are the key properties of 2-(3-bromophenyl)-9-phenylcarbazole?
2-(3-bromophenyl)-9-phenylcarbazole 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 2-(3-bromophenyl)-9-phenylcarbazole is sourced from PubChem (CID 90216112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).