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

C43H17F6N7 — CID 134287663

IUPAC9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1ccc2c3ccc(C#N)cc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(-n4c5cc(C#N)ccc5c5ccc(C#N)cc54)cc3C#N)c2c1
InChIInChI=1S/C43H17F6N7/c44-42(45,46)29-13-27(14-30(16-29)43(47,48)49)35-17-36(55-37-9-23(18-50)1-5-31(37)32-6-2-24(19-51)10-38(32)55)28(22-54)15-41(35)56-39-11-25(20-52)3-7-33(39)34-8-4-26(21-53)12-40(34)56/h1-17H
InChIKeyRKCCQDJZIGPXLA-UHFFFAOYSA-N
MW745.65 g/mol
LogP10.94
Rot. Bonds3

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

9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile (PubChem CID 134287663) has the molecular formula C43H17F6N7 and a molecular weight of 745.65 g/mol. Its IUPAC name is 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile.

Molecular Properties

Compound Name9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile
PubChem CID134287663
Molecular FormulaC43H17F6N7
Molecular Weight745.65 g/mol
Exact Mass745.14
IUPAC Name9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1ccc2c3ccc(C#N)cc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(-n4c5cc(C#N)ccc5c5ccc(C#N)cc54)cc3C#N)c2c1
InChIInChI=1S/C43H17F6N7/c44-42(45,46)29-13-27(14-30(16-29)43(47,48)49)35-17-36(55-37-9-23(18-50)1-5-31(37)32-6-2-24(19-51)10-38(32)55)28(22-54)15-41(35)56-39-11-25(20-52)3-7-33(39)34-8-4-26(21-53)12-40(34)56/h1-17H
InChIKeyRKCCQDJZIGPXLA-UHFFFAOYSA-N
XLogP10.94
TPSA128.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.65
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
CID 142502036
5-[2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 149305061
4-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-ditert-butylcarbazol-9-yl)-5-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 134300623
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 134300622
5-[9-[4-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[3,5-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134300579
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 134287533
2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134296340
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-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826
2,5-bis(2-methylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295588
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 134300544

Frequently Asked Questions

What is the IUPAC name of 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile?
The IUPAC name of 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile (CID 134287663) is 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile.
What is the SMILES notation for 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile?
The canonical SMILES for 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile is N#Cc1ccc2c3ccc(C#N)cc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(-n4c5cc(C#N)ccc5c5ccc(C#N)cc54)cc3C#N)c2c1.
What is the InChIKey of 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile?
The InChIKey is RKCCQDJZIGPXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H17F6N7/c44-42(45,46)29-13-27(14-30(16-29)43(47,48)49)35-17-36(55-37-9-23(18-50)1-5-31(37)32-6-2-24(19-51)10-38(32)55)28(22-54)15-41(35)56-39-11-25(20-52)3-7-33(39)34-8-4-26(21-53)12-40(34)56/h1-17H.
What are the key properties of 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile?
9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile has a molecular weight of 745.65 g/mol, XLogP of 10.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile is sourced from PubChem (CID 134287663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).