3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile

C42H27N3 — CID 121307289

IUPAC3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
SMILESCc1ccc(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H27N3/c1-27-19-20-31(26-43)42(41(27)44-36-17-9-7-15-33(36)34-16-8-10-18-37(34)44)45-38-23-22-30(28-11-3-2-4-12-28)25-35(38)40-32-14-6-5-13-29(32)21-24-39(40)45/h2-25H,1H3
InChIKeyIWLFMZNTUPSLRM-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.88
Rot. Bonds3

About 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile

3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile (PubChem CID 121307289) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
PubChem CID121307289
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
SMILESCc1ccc(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H27N3/c1-27-19-20-31(26-43)42(41(27)44-36-17-9-7-15-33(36)34-16-8-10-18-37(34)44)45-38-23-22-30(28-11-3-2-4-12-28)25-35(38)40-32-14-6-5-13-29(32)21-24-39(40)45/h2-25H,1H3
InChIKeyIWLFMZNTUPSLRM-UHFFFAOYSA-N
XLogP10.88
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155449841
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 144765572
2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605
4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-3-[3-[7-(2-carbazol-9-yl-3,4-dicyanophenyl)benzo[c]carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 155450666
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-3-(3,6-diphenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 121324579
2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155417153
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
2-methyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418402
5-isocyano-2,4-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462263
2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 155450671
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328709

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile?
The IUPAC name of 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile (CID 121307289) is 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile is Cc1ccc(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile?
The InChIKey is IWLFMZNTUPSLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-27-19-20-31(26-43)42(41(27)44-36-17-9-7-15-33(36)34-16-8-10-18-37(34)44)45-38-23-22-30(28-11-3-2-4-12-28)25-35(38)40-32-14-6-5-13-29(32)21-24-39(40)45/h2-25H,1H3.
What are the key properties of 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile?
3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile has a molecular weight of 573.70 g/mol, XLogP of 10.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile is sourced from PubChem (CID 121307289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).