2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile

C33H24N2 — CID 122430895

IUPAC2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccccc2-c2ccccc2C#N)cc1
InChIInChI=1S/C33H24N2/c1-22-11-17-32-30(19-22)31-20-23(2)12-18-33(31)35(32)26-15-13-24(14-16-26)27-8-5-6-10-29(27)28-9-4-3-7-25(28)21-34/h3-20H,1-2H3
InChIKeyJCKXCDJMFNJVQI-UHFFFAOYSA-N
MW448.57 g/mol
LogP8.61
Rot. Bonds3

About 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile

2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile (PubChem CID 122430895) has the molecular formula C33H24N2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile
PubChem CID122430895
Molecular FormulaC33H24N2
Molecular Weight448.57 g/mol
Exact Mass448.19
IUPAC Name2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccccc2-c2ccccc2C#N)cc1
InChIInChI=1S/C33H24N2/c1-22-11-17-32-30(19-22)31-20-23(2)12-18-33(31)35(32)26-15-13-24(14-16-26)27-8-5-6-10-29(27)28-9-4-3-7-25(28)21-34/h3-20H,1-2H3
InChIKeyJCKXCDJMFNJVQI-UHFFFAOYSA-N
XLogP8.61
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile
CID 156678725
2-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 175004217
3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole
CID 174182442
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
2,4,6-tris(4-carbazol-9-ylphenyl)-3,5-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 139441530
2-[2-cyano-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile;ethane
CID 145427145
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
4-[2,3-bis(3-methylcarbazol-9-yl)phenyl]-2-phenylbenzonitrile
CID 156678684
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile (CID 122430895) is 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccccc2-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile?
The InChIKey is JCKXCDJMFNJVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2/c1-22-11-17-32-30(19-22)31-20-23(2)12-18-33(31)35(32)26-15-13-24(14-16-26)27-8-5-6-10-29(27)28-9-4-3-7-25(28)21-34/h3-20H,1-2H3.
What are the key properties of 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile?
2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile has a molecular weight of 448.57 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 122430895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).