9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile

C32H22N2 — CID 118330101

IUPAC9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile
SMILESCn1c2ccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc2c2cccc(C#N)c21
InChIInChI=1S/C32H22N2/c1-34-31-18-17-27(20-30(31)29-12-6-11-28(21-33)32(29)34)26-10-5-9-25(19-26)24-15-13-23(14-16-24)22-7-3-2-4-8-22/h2-20H,1H3
InChIKeyRKOGWQVPXSACAC-UHFFFAOYSA-N
MW434.54 g/mol
LogP8.20
Rot. Bonds3

About 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile

9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile (PubChem CID 118330101) has the molecular formula C32H22N2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile
PubChem CID118330101
Molecular FormulaC32H22N2
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile
SMILESCn1c2ccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc2c2cccc(C#N)c21
InChIInChI=1S/C32H22N2/c1-34-31-18-17-27(20-30(31)29-12-6-11-28(21-33)32(29)34)26-10-5-9-25(19-26)24-15-13-23(14-16-24)22-7-3-2-4-8-22/h2-20H,1H3
InChIKeyRKOGWQVPXSACAC-UHFFFAOYSA-N
XLogP8.20
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile
CID 118331718
9-methylcarbazole-1,6-dicarbonitrile
CID 122501071
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
5-[3-(3-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 158643632
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357395
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile (CID 118330101) is 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile is Cn1c2ccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc2c2cccc(C#N)c21.
What is the InChIKey of 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile?
The InChIKey is RKOGWQVPXSACAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2/c1-34-31-18-17-27(20-30(31)29-12-6-11-28(21-33)32(29)34)26-10-5-9-25(19-26)24-15-13-23(14-16-24)22-7-3-2-4-8-22/h2-20H,1H3.
What are the key properties of 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile?
9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile has a molecular weight of 434.54 g/mol, XLogP of 8.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 118330101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).