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

C42H18F3N7 — CID 146237938

IUPAC9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(C#N)ccc4c4ccc(C#N)cc43)c(C(F)(F)F)cc2-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C42H18F3N7/c43-42(44,45)35-18-40(51-36-13-25(20-47)4-8-30(36)31-9-5-26(21-48)14-37(31)51)34(29-3-1-2-24(12-29)19-46)17-41(35)52-38-15-27(22-49)6-10-32(38)33-11-7-28(23-50)16-39(33)52/h1-18H
InChIKeyFOGGGRMCTMYEJF-UHFFFAOYSA-N
MW677.65 g/mol
LogP9.93
Rot. Bonds3

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

9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile (PubChem CID 146237938) has the molecular formula C42H18F3N7 and a molecular weight of 677.65 g/mol. Its IUPAC name is 9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile.

Molecular Properties

Compound Name9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile
PubChem CID146237938
Molecular FormulaC42H18F3N7
Molecular Weight677.65 g/mol
Exact Mass677.16
IUPAC Name9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(C#N)ccc4c4ccc(C#N)cc43)c(C(F)(F)F)cc2-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C42H18F3N7/c43-42(44,45)35-18-40(51-36-13-25(20-47)4-8-30(36)31-9-5-26(21-48)14-37(31)51)34(29-3-1-2-24(12-29)19-46)17-41(35)52-38-15-27(22-49)6-10-32(38)33-11-7-28(23-50)16-39(33)52/h1-18H
InChIKeyFOGGGRMCTMYEJF-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

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Related Compounds

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
3-[2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 142465777
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377796
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377959
9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
CID 142502036
3-[2,5-bis(1-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 159791827
3-[2,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377828
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826
3-[4,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 155377888
5-[9-[5-(3-cyanophenyl)-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238206
3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146237978
9-[3-(2-cyanocarbazol-9-yl)-4-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]carbazole-2-carbonitrile
CID 142465811

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile?
The IUPAC name of 9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile (CID 146237938) is 9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile.
What is the SMILES notation for 9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile?
The canonical SMILES for 9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile is N#Cc1cccc(-c2cc(-n3c4cc(C#N)ccc4c4ccc(C#N)cc43)c(C(F)(F)F)cc2-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)c1.
What is the InChIKey of 9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile?
The InChIKey is FOGGGRMCTMYEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H18F3N7/c43-42(44,45)35-18-40(51-36-13-25(20-47)4-8-30(36)31-9-5-26(21-48)14-37(31)51)34(29-3-1-2-24(12-29)19-46)17-41(35)52-38-15-27(22-49)6-10-32(38)33-11-7-28(23-50)16-39(33)52/h1-18H.
What are the key properties of 9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile?
9-[2-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)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-(3-cyanophenyl)-4-(2,7-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-2,7-dicarbonitrile is sourced from PubChem (CID 146237938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).