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

C44H24F6N4 — CID 155216444

IUPAC4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C44H24F6N4/c45-43(46,47)28-17-19-39-32(23-28)30-11-4-6-15-37(30)53(39)41-21-27(36-14-8-13-35(52-36)26-9-2-1-3-10-26)22-42(34(41)25-51)54-38-16-7-5-12-31(38)33-24-29(44(48,49)50)18-20-40(33)54/h1-24H
InChIKeySIKQRCXBVGEROZ-UHFFFAOYSA-N
MW722.69 g/mol
LogP12.52
Rot. Bonds4

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

4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (PubChem CID 155216444) has the molecular formula C44H24F6N4 and a molecular weight of 722.69 g/mol. Its IUPAC name is 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
PubChem CID155216444
Molecular FormulaC44H24F6N4
Molecular Weight722.69 g/mol
Exact Mass722.19
IUPAC Name4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C44H24F6N4/c45-43(46,47)28-17-19-39-32(23-28)30-11-4-6-15-37(30)53(39)41-21-27(36-14-8-13-35(52-36)26-9-2-1-3-10-26)22-42(34(41)25-51)54-38-16-7-5-12-31(38)33-24-29(44(48,49)50)18-20-40(33)54/h1-24H
InChIKeySIKQRCXBVGEROZ-UHFFFAOYSA-N
XLogP12.52
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.69
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]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

2,6-bis[3-(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571728
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134320998
4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147088605
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137386596
4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162609134
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419887
2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155654205
4-(3-cyanophenyl)-2-(3-methylcarbazol-9-yl)-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162180279
4-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137382226

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (CID 155216444) is 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is N#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The InChIKey is SIKQRCXBVGEROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F6N4/c45-43(46,47)28-17-19-39-32(23-28)30-11-4-6-15-37(30)53(39)41-21-27(36-14-8-13-35(52-36)26-9-2-1-3-10-26)22-42(34(41)25-51)54-38-16-7-5-12-31(38)33-24-29(44(48,49)50)18-20-40(33)54/h1-24H.
What are the key properties of 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile has a molecular weight of 722.69 g/mol, XLogP of 12.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 155216444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).