9-(4-bromophenyl)carbazole

C18H12BrN — CID 22361390

IUPAC9-(4-bromophenyl)carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H12BrN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H
InChIKeyXSDKKRKTDZMKCH-UHFFFAOYSA-N
MW322.21 g/mol
LogP5.55
Rot. Bonds1

About 9-(4-bromophenyl)carbazole

9-(4-bromophenyl)carbazole (PubChem CID 22361390) has the molecular formula C18H12BrN and a molecular weight of 322.21 g/mol. Its IUPAC name is 9-(4-bromophenyl)carbazole.

Molecular Properties

Compound Name9-(4-bromophenyl)carbazole
PubChem CID22361390
Molecular FormulaC18H12BrN
Molecular Weight322.21 g/mol
Exact Mass321.02
IUPAC Name9-(4-bromophenyl)carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H12BrN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H
InChIKeyXSDKKRKTDZMKCH-UHFFFAOYSA-N
XLogP5.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.21
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)carbazole?
The IUPAC name of 9-(4-bromophenyl)carbazole (CID 22361390) is 9-(4-bromophenyl)carbazole.
What is the SMILES notation for 9-(4-bromophenyl)carbazole?
The canonical SMILES for 9-(4-bromophenyl)carbazole is Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-(4-bromophenyl)carbazole?
The InChIKey is XSDKKRKTDZMKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H.
What are the key properties of 9-(4-bromophenyl)carbazole?
9-(4-bromophenyl)carbazole has a molecular weight of 322.21 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)carbazole is sourced from PubChem (CID 22361390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).