5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile

C53H27F3N6 — CID 162612272

IUPAC5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c2)c1
InChIInChI=1S/C53H27F3N6/c54-53(55,56)52-50(61-46-15-7-5-13-42(46)44-24-34(17-19-48(44)61)40-11-3-1-9-36(40)30-59)26-39(38-22-32(28-57)21-33(23-38)29-58)27-51(52)62-47-16-8-6-14-43(47)45-25-35(18-20-49(45)62)41-12-4-2-10-37(41)31-60/h1-27H
InChIKeyPCIUVDBFMLVQIM-UHFFFAOYSA-N
MW804.84 g/mol
LogP13.39
Rot. Bonds5

About 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile

5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 162612272) has the molecular formula C53H27F3N6 and a molecular weight of 804.84 g/mol. Its IUPAC name is 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID162612272
Molecular FormulaC53H27F3N6
Molecular Weight804.84 g/mol
Exact Mass804.22
IUPAC Name5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c2)c1
InChIInChI=1S/C53H27F3N6/c54-53(55,56)52-50(61-46-15-7-5-13-42(46)44-24-34(17-19-48(44)61)40-11-3-1-9-36(40)30-59)26-39(38-22-32(28-57)21-33(23-38)29-58)27-51(52)62-47-16-8-6-14-43(47)45-25-35(18-20-49(45)62)41-12-4-2-10-37(41)31-60/h1-27H
InChIKeyPCIUVDBFMLVQIM-UHFFFAOYSA-N
XLogP13.39
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.84
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-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

5-[3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612269
5-[3,5-di(carbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 139538793
2-[9-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 154960288
5-[3,5-bis(3-cyanocarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612245
5-[3,5-bis(2-methylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612235
5-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612242
4-[2,4-bis(trifluoromethyl)phenyl]-3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134473623
5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386723
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
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377672
3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 149474469
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile (CID 162612272) is 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccccc5C#N)ccc43)c2)c1.
What is the InChIKey of 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is PCIUVDBFMLVQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H27F3N6/c54-53(55,56)52-50(61-46-15-7-5-13-42(46)44-24-34(17-19-48(44)61)40-11-3-1-9-36(40)30-59)26-39(38-22-32(28-57)21-33(23-38)29-58)27-51(52)62-47-16-8-6-14-43(47)45-25-35(18-20-49(45)62)41-12-4-2-10-37(41)31-60/h1-27H.
What are the key properties of 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile?
5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 804.84 g/mol, XLogP of 13.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 162612272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).