2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile

C52H28N6 — CID 155377782

IUPAC2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)cc2C#N)c1
InChIInChI=1S/C52H28N6/c53-29-33-10-9-13-34(24-33)44-28-52(58-48-19-8-6-17-43(48)46-26-36(21-23-50(46)58)41-15-4-2-12-38(41)31-55)51(27-39(44)32-56)57-47-18-7-5-16-42(47)45-25-35(20-22-49(45)57)40-14-3-1-11-37(40)30-54/h1-28H
InChIKeyNFXXQDHDJMJPEU-UHFFFAOYSA-N
MW736.84 g/mol
LogP12.37
Rot. Bonds5

About 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile

2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile (PubChem CID 155377782) has the molecular formula C52H28N6 and a molecular weight of 736.84 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
PubChem CID155377782
Molecular FormulaC52H28N6
Molecular Weight736.84 g/mol
Exact Mass736.24
IUPAC Name2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)cc2C#N)c1
InChIInChI=1S/C52H28N6/c53-29-33-10-9-13-34(24-33)44-28-52(58-48-19-8-6-17-43(48)46-26-36(21-23-50(46)58)41-15-4-2-12-38(41)31-55)51(27-39(44)32-56)57-47-18-7-5-16-42(47)45-25-35(20-22-49(45)57)40-14-3-1-11-37(40)30-54/h1-28H
InChIKeyNFXXQDHDJMJPEU-UHFFFAOYSA-N
XLogP12.37
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.84
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784
2-[9-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155377871
5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 146237934
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146237957
3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 142466016
4,5-bis(2-tert-butylcarbazol-9-yl)-2-(3-cyanophenyl)benzonitrile
CID 146238034
5-carbazol-9-yl-2-(3-cyanophenyl)-4-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 155646850
2-[9-[2,6-bis(3-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155447205
4-(3-cyanophenyl)-2,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 155377735
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134321459

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile (CID 155377782) is 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)cc2C#N)c1.
What is the InChIKey of 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
The InChIKey is NFXXQDHDJMJPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N6/c53-29-33-10-9-13-34(24-33)44-28-52(58-48-19-8-6-17-43(48)46-26-36(21-23-50(46)58)41-15-4-2-12-38(41)31-55)51(27-39(44)32-56)57-47-18-7-5-16-42(47)45-25-35(20-22-49(45)57)40-14-3-1-11-37(40)30-54/h1-28H.
What are the key properties of 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile?
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile has a molecular weight of 736.84 g/mol, XLogP of 12.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 155377782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).