5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile

C38H26N2 — CID 156678725

IUPAC5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(C#N)c(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C38H26N2/c1-26-16-21-37-35(22-26)33-14-8-9-15-36(33)40(37)32-19-17-27(18-20-32)30-23-31(25-39)38(29-12-6-3-7-13-29)34(24-30)28-10-4-2-5-11-28/h2-24H,1H3
InChIKeyWKQNGPUTFMFGKT-UHFFFAOYSA-N
MW510.64 g/mol
LogP9.96
Rot. Bonds4

About 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile

5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile (PubChem CID 156678725) has the molecular formula C38H26N2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile.

Molecular Properties

Compound Name5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile
PubChem CID156678725
Molecular FormulaC38H26N2
Molecular Weight510.64 g/mol
Exact Mass510.21
IUPAC Name5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(C#N)c(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C38H26N2/c1-26-16-21-37-35(22-26)33-14-8-9-15-36(33)40(37)32-19-17-27(18-20-32)30-23-31(25-39)38(29-12-6-3-7-13-29)34(24-30)28-10-4-2-5-11-28/h2-24H,1H3
InChIKeyWKQNGPUTFMFGKT-UHFFFAOYSA-N
XLogP9.96
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-9-[3-(2,4,6-triphenylphenyl)phenyl]carbazole;3,6-dimethyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole;9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164993566
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
2,4,6-tris(4-carbazol-9-ylphenyl)-3,5-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 139441530
2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 122430895
5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile
CID 126730097
2-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-5-(2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile
CID 126734518
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,4,6-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943784
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903115

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile?
The IUPAC name of 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile (CID 156678725) is 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile.
What is the SMILES notation for 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile?
The canonical SMILES for 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(C#N)c(-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile?
The InChIKey is WKQNGPUTFMFGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2/c1-26-16-21-37-35(22-26)33-14-8-9-15-36(33)40(37)32-19-17-27(18-20-32)30-23-31(25-39)38(29-12-6-3-7-13-29)34(24-30)28-10-4-2-5-11-28/h2-24H,1H3.
What are the key properties of 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile?
5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile has a molecular weight of 510.64 g/mol, XLogP of 9.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylcarbazol-9-yl)phenyl]-2,3-diphenylbenzonitrile is sourced from PubChem (CID 156678725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).