8-bromo-5-phenyl-11H-benzo[a]carbazole

C22H14BrN — CID 176551555

IUPAC8-bromo-5-phenyl-11H-benzo[a]carbazole
SMILESBrc1ccc2[nH]c3c4ccccc4c(-c4ccccc4)cc3c2c1
InChIInChI=1S/C22H14BrN/c23-15-10-11-21-19(12-15)20-13-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)22(20)24-21/h1-13,24H
InChIKeyQPOZGLQYNLLOAH-UHFFFAOYSA-N
MW372.27 g/mol
LogP6.90
Rot. Bonds1

About 8-bromo-5-phenyl-11H-benzo[a]carbazole

8-bromo-5-phenyl-11H-benzo[a]carbazole (PubChem CID 176551555) has the molecular formula C22H14BrN and a molecular weight of 372.27 g/mol. Its IUPAC name is 8-bromo-5-phenyl-11H-benzo[a]carbazole.

Molecular Properties

Compound Name8-bromo-5-phenyl-11H-benzo[a]carbazole
PubChem CID176551555
Molecular FormulaC22H14BrN
Molecular Weight372.27 g/mol
Exact Mass371.03
IUPAC Name8-bromo-5-phenyl-11H-benzo[a]carbazole
SMILESBrc1ccc2[nH]c3c4ccccc4c(-c4ccccc4)cc3c2c1
InChIInChI=1S/C22H14BrN/c23-15-10-11-21-19(12-15)20-13-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)22(20)24-21/h1-13,24H
InChIKeyQPOZGLQYNLLOAH-UHFFFAOYSA-N
XLogP6.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.27
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 118493011
9H-carbazole;3,6-dibromo-9H-carbazole
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CID 88867954
1,3,6-triphenyl-9H-carbazole
CID 118052457
1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
3-phenyl-9H-carbazole-1,2-dicarbonitrile
CID 142753371
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940
1,6-dibromo-3-chloro-9H-carbazole
CID 171793473
1,6-dibromo-3-methyl-9H-carbazole
CID 171793156
1-[3-(4-bromophenyl)-5-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 67532426
2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole
CID 142731215
7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione
CID 89336176

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-phenyl-11H-benzo[a]carbazole?
The IUPAC name of 8-bromo-5-phenyl-11H-benzo[a]carbazole (CID 176551555) is 8-bromo-5-phenyl-11H-benzo[a]carbazole.
What is the SMILES notation for 8-bromo-5-phenyl-11H-benzo[a]carbazole?
The canonical SMILES for 8-bromo-5-phenyl-11H-benzo[a]carbazole is Brc1ccc2[nH]c3c4ccccc4c(-c4ccccc4)cc3c2c1.
What is the InChIKey of 8-bromo-5-phenyl-11H-benzo[a]carbazole?
The InChIKey is QPOZGLQYNLLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN/c23-15-10-11-21-19(12-15)20-13-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)22(20)24-21/h1-13,24H.
What are the key properties of 8-bromo-5-phenyl-11H-benzo[a]carbazole?
8-bromo-5-phenyl-11H-benzo[a]carbazole has a molecular weight of 372.27 g/mol, XLogP of 6.90, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-phenyl-11H-benzo[a]carbazole is sourced from PubChem (CID 176551555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).