3-bromo-9-phenylcarbazole

C18H12BrN — CID 18942624

IUPAC3-bromo-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H12BrN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H
InChIKeyKUBSCXXKQGDPPD-UHFFFAOYSA-N
MW322.21 g/mol
LogP5.55
Rot. Bonds1

About 3-bromo-9-phenylcarbazole

3-bromo-9-phenylcarbazole (PubChem CID 18942624) has the molecular formula C18H12BrN and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-bromo-9-phenylcarbazole.

Molecular Properties

Compound Name3-bromo-9-phenylcarbazole
PubChem CID18942624
Molecular FormulaC18H12BrN
Molecular Weight322.21 g/mol
Exact Mass321.02
IUPAC Name3-bromo-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H12BrN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H
InChIKeyKUBSCXXKQGDPPD-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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Related Compounds

N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
N-Methylcarbazole
CID 15142
9-Phenylcarbazole
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3,6-Dibromocarbazole
CID 274874
2,7-Dibromocarbazole
CID 11151503
7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 700805
Pyrrole, 1-(p-bromophenyl)-2-methyl-5-phenyl-
CID 122758
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
6-Bromo-1,2,3,4-tetrahydrocarbazole
CID 268877
3-Bromocarbazole
CID 252446
N-Butylcarbazole
CID 73872

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-phenylcarbazole?
The IUPAC name of 3-bromo-9-phenylcarbazole (CID 18942624) is 3-bromo-9-phenylcarbazole.
What is the SMILES notation for 3-bromo-9-phenylcarbazole?
The canonical SMILES for 3-bromo-9-phenylcarbazole is Brc1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-bromo-9-phenylcarbazole?
The InChIKey is KUBSCXXKQGDPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 3-bromo-9-phenylcarbazole?
3-bromo-9-phenylcarbazole 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 3-bromo-9-phenylcarbazole is sourced from PubChem (CID 18942624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).