9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile

C42H18F3N7 — CID 142502036

IUPAC9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1ccc2c3ccc(C#N)cc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(-n4c5cc(C#N)ccc5c5ccc(C#N)cc54)cc3C#N)c2c1
InChIInChI=1S/C42H18F3N7/c43-42(44,45)30-3-1-2-28(16-30)35-18-36(51-37-12-24(19-46)4-8-31(37)32-9-5-25(20-47)13-38(32)51)29(23-50)17-41(35)52-39-14-26(21-48)6-10-33(39)34-11-7-27(22-49)15-40(34)52/h1-18H
InChIKeyNRDSEKVZEHTJGX-UHFFFAOYSA-N
MW677.65 g/mol
LogP9.93
Rot. Bonds3

About 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile

9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile (PubChem CID 142502036) has the molecular formula C42H18F3N7 and a molecular weight of 677.65 g/mol. Its IUPAC name is 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile.

Molecular Properties

Compound Name9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
PubChem CID142502036
Molecular FormulaC42H18F3N7
Molecular Weight677.65 g/mol
Exact Mass677.16
IUPAC Name9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1ccc2c3ccc(C#N)cc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(-n4c5cc(C#N)ccc5c5ccc(C#N)cc54)cc3C#N)c2c1
InChIInChI=1S/C42H18F3N7/c43-42(44,45)30-3-1-2-28(16-30)35-18-36(51-37-12-24(19-46)4-8-31(37)32-9-5-25(20-47)13-38(32)51)29(23-50)17-41(35)52-39-14-26(21-48)6-10-33(39)34-11-7-27(22-49)15-40(34)52/h1-18H
InChIKeyNRDSEKVZEHTJGX-UHFFFAOYSA-N
XLogP9.93
TPSA128.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.65
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile
CID 134287663
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945
9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile
CID 146237938
4,5-bis(2,7-dimethylcarbazol-9-yl)-2-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162610904
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 155427496
2,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142502046
9-[2-cyano-4-(2-cyano-7-isocyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]-7-isocyanocarbazole-2-carbonitrile
CID 155646678
5-[2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 149305061
4-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386904
5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538845
4-[9-[4-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465942

Frequently Asked Questions

What is the IUPAC name of 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile?
The IUPAC name of 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile (CID 142502036) is 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile.
What is the SMILES notation for 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile?
The canonical SMILES for 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile is N#Cc1ccc2c3ccc(C#N)cc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(-n4c5cc(C#N)ccc5c5ccc(C#N)cc54)cc3C#N)c2c1.
What is the InChIKey of 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile?
The InChIKey is NRDSEKVZEHTJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H18F3N7/c43-42(44,45)30-3-1-2-28(16-30)35-18-36(51-37-12-24(19-46)4-8-31(37)32-9-5-25(20-47)13-38(32)51)29(23-50)17-41(35)52-39-14-26(21-48)6-10-33(39)34-11-7-27(22-49)15-40(34)52/h1-18H.
What are the key properties of 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile?
9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile has a molecular weight of 677.65 g/mol, XLogP of 9.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile is sourced from PubChem (CID 142502036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).