2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile

C53H27F3N6 — CID 137381430

IUPAC2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c(C#N)cccc3C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)cc2C#N)cc1
InChIInChI=1S/C53H27F3N6/c54-53(55,56)45-9-5-6-38(30-59)52(45)44-27-50(61-46-10-3-1-7-40(46)42-24-36(20-22-48(42)61)34-16-12-32(28-57)13-17-34)39(31-60)26-51(44)62-47-11-4-2-8-41(47)43-25-37(21-23-49(43)62)35-18-14-33(29-58)15-19-35/h1-27H
InChIKeyCWVIXSYJLDPJIG-UHFFFAOYSA-N
MW804.84 g/mol
LogP13.39
Rot. Bonds5

About 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile

2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137381430) has the molecular formula C53H27F3N6 and a molecular weight of 804.84 g/mol. Its IUPAC name is 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137381430
Molecular FormulaC53H27F3N6
Molecular Weight804.84 g/mol
Exact Mass804.22
IUPAC Name2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c(C#N)cccc3C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)cc2C#N)cc1
InChIInChI=1S/C53H27F3N6/c54-53(55,56)45-9-5-6-38(30-59)52(45)44-27-50(61-46-10-3-1-7-40(46)42-24-36(20-22-48(42)61)34-16-12-32(28-57)13-17-34)39(31-60)26-51(44)62-47-11-4-2-8-41(47)43-25-37(21-23-49(43)62)35-18-14-33(29-58)15-19-35/h1-27H
InChIKeyCWVIXSYJLDPJIG-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 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile 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

2,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381406
2-[2-[2,6-bis(trifluoromethyl)phenyl]-6-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-3-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138500036
4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
2-[2,6-bis(trifluoromethyl)phenyl]-4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 137393375
2,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382087
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138498857
3-[2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 142465777
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499848
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
4-[9-[4-cyano-2-[2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 139526285
3,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382189

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile (CID 137381430) is 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c(C#N)cccc3C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)cc2C#N)cc1.
What is the InChIKey of 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is CWVIXSYJLDPJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H27F3N6/c54-53(55,56)45-9-5-6-38(30-59)52(45)44-27-50(61-46-10-3-1-7-40(46)42-24-36(20-22-48(42)61)34-16-12-32(28-57)13-17-34)39(31-60)26-51(44)62-47-11-4-2-8-41(47)43-25-37(21-23-49(43)62)35-18-14-33(29-58)15-19-35/h1-27H.
What are the key properties of 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile 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 2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137381430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).