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

C54H26F15N3 — CID 142501960

IUPAC2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc(-c2cccc(C(F)(F)F)c2)cc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21
InChIInChI=1S/C54H26F15N3/c55-50(56,57)32-7-5-6-28(20-32)31-23-48(71-44-10-3-1-8-37(44)39-21-29(12-18-46(39)71)35-16-14-33(51(58,59)60)25-42(35)53(64,65)66)41(27-70)49(24-31)72-45-11-4-2-9-38(45)40-22-30(13-19-47(40)72)36-17-15-34(52(61,62)63)26-43(36)54(67,68)69/h1-26H
InChIKeyRZBWAFJHOPDDAC-UHFFFAOYSA-N
MW1001.79 g/mol
LogP17.85
Rot. Bonds5

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

2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 142501960) has the molecular formula C54H26F15N3 and a molecular weight of 1001.79 g/mol. Its IUPAC name is 2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
PubChem CID142501960
Molecular FormulaC54H26F15N3
Molecular Weight1001.79 g/mol
Exact Mass1001.19
IUPAC Name2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc(-c2cccc(C(F)(F)F)c2)cc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21
InChIInChI=1S/C54H26F15N3/c55-50(56,57)32-7-5-6-28(20-32)31-23-48(71-44-10-3-1-8-37(44)39-21-29(12-18-46(39)71)35-16-14-33(51(58,59)60)25-42(35)53(64,65)66)41(27-70)49(24-31)72-45-11-4-2-9-38(45)40-22-30(13-19-47(40)72)36-17-15-34(52(61,62)63)26-43(36)54(67,68)69/h1-26H
InChIKeyRZBWAFJHOPDDAC-UHFFFAOYSA-N
XLogP17.85
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.79
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,6-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237920
2,6-bis[3-(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571728
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142466030
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021
5-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473326
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 158283919
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134473797
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402103
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(2-tert-butylcarbazol-9-yl)benzonitrile
CID 134473616
2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 134473598
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 146519991
3-[2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238200

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (CID 142501960) is 2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc(-c2cccc(C(F)(F)F)c2)cc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21.
What is the InChIKey of 2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is RZBWAFJHOPDDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H26F15N3/c55-50(56,57)32-7-5-6-28(20-32)31-23-48(71-44-10-3-1-8-37(44)39-21-29(12-18-46(39)71)35-16-14-33(51(58,59)60)25-42(35)53(64,65)66)41(27-70)49(24-31)72-45-11-4-2-9-38(45)40-22-30(13-19-47(40)72)36-17-15-34(52(61,62)63)26-43(36)54(67,68)69/h1-26H.
What are the key properties of 2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1001.79 g/mol, XLogP of 17.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 142501960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).