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

C52H34F3N3 — CID 137386806

IUPAC3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc(-c6ccccc6C)cc54)c3-c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C52H34F3N3/c1-32-13-3-5-15-37(32)35-23-25-41-39-17-8-11-21-45(39)57(47(41)29-35)49-27-34(31-56)28-50(51(49)43-19-7-10-20-44(43)52(53,54)55)58-46-22-12-9-18-40(46)42-26-24-36(30-48(42)58)38-16-6-4-14-33(38)2/h3-30H,1-2H3
InChIKeyOFUJYGZZAZGTFA-UHFFFAOYSA-N
MW757.86 g/mol
LogP14.39
Rot. Bonds5

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

3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386806) has the molecular formula C52H34F3N3 and a molecular weight of 757.86 g/mol. Its IUPAC name is 3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386806
Molecular FormulaC52H34F3N3
Molecular Weight757.86 g/mol
Exact Mass757.27
IUPAC Name3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc(-c6ccccc6C)cc54)c3-c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C52H34F3N3/c1-32-13-3-5-15-37(32)35-23-25-41-39-17-8-11-21-45(39)57(47(41)29-35)49-27-34(31-56)28-50(51(49)43-19-7-10-20-44(43)52(53,54)55)58-46-22-12-9-18-40(46)42-26-24-36(30-48(42)58)38-16-6-4-14-33(38)2/h3-30H,1-2H3
InChIKeyOFUJYGZZAZGTFA-UHFFFAOYSA-N
XLogP14.39
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.86
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 146519834
3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386429
4-[2-cyano-4-(trifluoromethyl)phenyl]-3,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 162609084
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
3,5-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 138567372
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 137392780
4-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499564
3-[3-(2-methylphenyl)carbazol-9-yl]-4-[2-[3-(2-methylphenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 161437884
3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(4-cyano-2-fluorophenyl)benzonitrile
CID 153302746
3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386791
4-[4-cyano-2-(trifluoromethyl)phenyl]-3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 142414332
3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 153302790

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386806) is 3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc(-c6ccccc6C)cc54)c3-c3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is OFUJYGZZAZGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34F3N3/c1-32-13-3-5-15-37(32)35-23-25-41-39-17-8-11-21-45(39)57(47(41)29-35)49-27-34(31-56)28-50(51(49)43-19-7-10-20-44(43)52(53,54)55)58-46-22-12-9-18-40(46)42-26-24-36(30-48(42)58)38-16-6-4-14-33(38)2/h3-30H,1-2H3.
What are the key properties of 3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 757.86 g/mol, XLogP of 14.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).