3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile

C55H30F6N6 — CID 142533608

IUPAC3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C55H30F6N6/c56-54(57,58)42-20-24-43(47(30-42)55(59,60)61)41-19-23-46(53-65-51(35-11-3-1-4-12-35)64-52(66-53)36-13-5-2-6-14-36)50(29-41)67-48-27-39(37-15-7-9-33(25-37)31-62)17-21-44(48)45-22-18-40(28-49(45)67)38-16-8-10-34(26-38)32-63/h1-30H
InChIKeyGRTKLSAOHRWFHB-UHFFFAOYSA-N
MW888.88 g/mol
LogP14.75
Rot. Bonds7

About 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile

3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile (PubChem CID 142533608) has the molecular formula C55H30F6N6 and a molecular weight of 888.88 g/mol. Its IUPAC name is 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
PubChem CID142533608
Molecular FormulaC55H30F6N6
Molecular Weight888.88 g/mol
Exact Mass888.24
IUPAC Name3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C55H30F6N6/c56-54(57,58)42-20-24-43(47(30-42)55(59,60)61)41-19-23-46(53-65-51(35-11-3-1-4-12-35)64-52(66-53)36-13-5-2-6-14-36)50(29-41)67-48-27-39(37-15-7-9-33(25-37)31-62)17-21-44(48)45-22-18-40(28-49(45)67)38-16-8-10-34(26-38)32-63/h1-30H
InChIKeyGRTKLSAOHRWFHB-UHFFFAOYSA-N
XLogP14.75
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.88
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-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

3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 142533588
3-[7-(3-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486658
3-[7-(3-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 142543876
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486655
3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512748
3-[3,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238232
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 138486656
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142466030
4,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321386
3-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174171018
3-[9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 163507883
2,6-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419887

Frequently Asked Questions

What is the IUPAC name of 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile?
The IUPAC name of 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile (CID 142533608) is 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile?
The canonical SMILES for 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile is N#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.
What is the InChIKey of 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile?
The InChIKey is GRTKLSAOHRWFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30F6N6/c56-54(57,58)42-20-24-43(47(30-42)55(59,60)61)41-19-23-46(53-65-51(35-11-3-1-4-12-35)64-52(66-53)36-13-5-2-6-14-36)50(29-41)67-48-27-39(37-15-7-9-33(25-37)31-62)17-21-44(48)45-22-18-40(28-49(45)67)38-16-8-10-34(26-38)32-63/h1-30H.
What are the key properties of 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile?
3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile has a molecular weight of 888.88 g/mol, XLogP of 14.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile is sourced from PubChem (CID 142533608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).