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

C55H40F3N3 — CID 134295725

IUPAC2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C)cc(C(F)(F)F)c5)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4C#N)c3c2)c1
InChIInChI=1S/C55H40F3N3/c1-32-18-33(2)21-39(20-32)37-14-16-46-44-10-6-8-12-49(44)60(51(46)27-37)53-29-42(41-24-36(5)25-43(26-41)55(56,57)58)30-54(48(53)31-59)61-50-13-9-7-11-45(50)47-17-15-38(28-52(47)61)40-22-34(3)19-35(4)23-40/h6-30H,1-5H3
InChIKeyGTLXCGYYMSRQQT-UHFFFAOYSA-N
MW799.94 g/mol
LogP15.31
Rot. Bonds5

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

2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 134295725) has the molecular formula C55H40F3N3 and a molecular weight of 799.94 g/mol. Its IUPAC name is 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
PubChem CID134295725
Molecular FormulaC55H40F3N3
Molecular Weight799.94 g/mol
Exact Mass799.32
IUPAC Name2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C)cc(C(F)(F)F)c5)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4C#N)c3c2)c1
InChIInChI=1S/C55H40F3N3/c1-32-18-33(2)21-39(20-32)37-14-16-46-44-10-6-8-12-49(44)60(51(46)27-37)53-29-42(41-24-36(5)25-43(26-41)55(56,57)58)30-54(48(53)31-59)61-50-13-9-7-11-45(50)47-17-15-38(28-52(47)61)40-22-34(3)19-35(4)23-40/h6-30H,1-5H3
InChIKeyGTLXCGYYMSRQQT-UHFFFAOYSA-N
XLogP15.31
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.94
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(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

4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 134300631
2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296278
2,6-bis(3-tert-butylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295573
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300612
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
CID 134300219
4-(4,6-dimethylpyrimidin-2-yl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 158411914
4-(3-cyano-5-methylphenyl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159351324
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021
4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 142489544
2,6-bis[3-(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571728
2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377522
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137386596

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile (CID 134295725) is 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile is Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C)cc(C(F)(F)F)c5)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4C#N)c3c2)c1.
What is the InChIKey of 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is GTLXCGYYMSRQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40F3N3/c1-32-18-33(2)21-39(20-32)37-14-16-46-44-10-6-8-12-49(44)60(51(46)27-37)53-29-42(41-24-36(5)25-43(26-41)55(56,57)58)30-54(48(53)31-59)61-50-13-9-7-11-45(50)47-17-15-38(28-52(47)61)40-22-34(3)19-35(4)23-40/h6-30H,1-5H3.
What are the key properties of 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 799.94 g/mol, XLogP of 15.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 134295725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).