3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile

C25H17ClN2 — CID 153408215

IUPAC3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile
SMILESCc1ccc(-c2c3cc(C)ccc3c(C#N)c3c2[nH]c2cc(Cl)ccc23)cc1
InChIInChI=1S/C25H17ClN2/c1-14-3-6-16(7-4-14)23-20-11-15(2)5-9-18(20)21(13-27)24-19-10-8-17(26)12-22(19)28-25(23)24/h3-12,28H,1-2H3
InChIKeyUNEPPALGEGVWDA-UHFFFAOYSA-N
MW380.88 g/mol
LogP7.28
Rot. Bonds1

About 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile

3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile (PubChem CID 153408215) has the molecular formula C25H17ClN2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile.

Molecular Properties

Compound Name3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile
PubChem CID153408215
Molecular FormulaC25H17ClN2
Molecular Weight380.88 g/mol
Exact Mass380.11
IUPAC Name3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile
SMILESCc1ccc(-c2c3cc(C)ccc3c(C#N)c3c2[nH]c2cc(Cl)ccc23)cc1
InChIInChI=1S/C25H17ClN2/c1-14-3-6-16(7-4-14)23-20-11-15(2)5-9-18(20)21(13-27)24-19-10-8-17(26)12-22(19)28-25(23)24/h3-12,28H,1-2H3
InChIKeyUNEPPALGEGVWDA-UHFFFAOYSA-N
XLogP7.28
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
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1,7-dichloro-5H-pyrido[4,3-b]indol-2-ium-4-carbonitrile
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1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile
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2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
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2-bromo-6-chloro-3-methyl-1H-indole
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2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2,6-difluoro-4-(4-methylphenyl)benzonitrile
CID 20714839
6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
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2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59775439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile?
The IUPAC name of 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile (CID 153408215) is 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile.
What is the SMILES notation for 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile?
The canonical SMILES for 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile is Cc1ccc(-c2c3cc(C)ccc3c(C#N)c3c2[nH]c2cc(Cl)ccc23)cc1.
What is the InChIKey of 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile?
The InChIKey is UNEPPALGEGVWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2/c1-14-3-6-16(7-4-14)23-20-11-15(2)5-9-18(20)21(13-27)24-19-10-8-17(26)12-22(19)28-25(23)24/h3-12,28H,1-2H3.
What are the key properties of 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile?
3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile has a molecular weight of 380.88 g/mol, XLogP of 7.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile is sourced from PubChem (CID 153408215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).