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

C66H38F3N7 — CID 138554404

IUPAC3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)cccc2C(F)(F)F)c1
InChIInChI=1S/C66H38F3N7/c67-66(68,69)55-24-13-27-61(76-57-26-10-8-23-51(57)53-37-48(29-32-59(53)76)46-21-12-15-42(35-46)40-71)62(55)54-38-49(65-73-63(43-16-3-1-4-17-43)72-64(74-65)44-18-5-2-6-19-44)30-33-60(54)75-56-25-9-7-22-50(56)52-36-47(28-31-58(52)75)45-20-11-14-41(34-45)39-70/h1-38H
InChIKeyHXAVNXXARUXJPH-UHFFFAOYSA-N
MW986.07 g/mol
LogP16.83
Rot. Bonds8

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

3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile (PubChem CID 138554404) has the molecular formula C66H38F3N7 and a molecular weight of 986.07 g/mol. Its IUPAC name is 3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
PubChem CID138554404
Molecular FormulaC66H38F3N7
Molecular Weight986.07 g/mol
Exact Mass985.31
IUPAC Name3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)cccc2C(F)(F)F)c1
InChIInChI=1S/C66H38F3N7/c67-66(68,69)55-24-13-27-61(76-57-26-10-8-23-51(57)53-37-48(29-32-59(53)76)46-21-12-15-42(35-46)40-71)62(55)54-38-49(65-73-63(43-16-3-1-4-17-43)72-64(74-65)44-18-5-2-6-19-44)30-33-60(54)75-56-25-9-7-22-50(56)52-36-47(28-31-58(52)75)45-20-11-14-41(34-45)39-70/h1-38H
InChIKeyHXAVNXXARUXJPH-UHFFFAOYSA-N
XLogP16.83
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.07
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

9-[2-[2-(3-cyanocarbazol-9-yl)-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 147568777
4-[9-[2-[2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138554504
3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495509
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138498988
3-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 139495502
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138554823
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
3-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 161415929
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)-6-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138554678
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495805
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170665019
3-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137420961

Frequently Asked Questions

What is the IUPAC name of 3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile?
The IUPAC name of 3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile (CID 138554404) is 3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile.
What is the SMILES notation for 3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile?
The canonical SMILES for 3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile is N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)cccc2C(F)(F)F)c1.
What is the InChIKey of 3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile?
The InChIKey is HXAVNXXARUXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38F3N7/c67-66(68,69)55-24-13-27-61(76-57-26-10-8-23-51(57)53-37-48(29-32-59(53)76)46-21-12-15-42(35-46)40-71)62(55)54-38-49(65-73-63(43-16-3-1-4-17-43)72-64(74-65)44-18-5-2-6-19-44)30-33-60(54)75-56-25-9-7-22-50(56)52-36-47(28-31-58(52)75)45-20-11-14-41(34-45)39-70/h1-38H.
What are the key properties of 3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile?
3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile has a molecular weight of 986.07 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 138554404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).