3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile

C63H35F3N6 — CID 137382258

IUPAC3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C#N)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C63H35F3N6/c64-63(65,66)51-25-15-16-38(36-67)57(51)49-34-35-56(71-54-28-13-9-23-43(54)47-32-30-45-41-21-7-11-26-52(41)69(59(45)61(47)71)39-17-3-1-4-18-39)50(37-68)58(49)72-55-29-14-10-24-44(55)48-33-31-46-42-22-8-12-27-53(42)70(60(46)62(48)72)40-19-5-2-6-20-40/h1-35H
InChIKeyTULZLAIBTHTRLS-UHFFFAOYSA-N
MW933.01 g/mol
LogP16.50
Rot. Bonds5

About 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile

3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile (PubChem CID 137382258) has the molecular formula C63H35F3N6 and a molecular weight of 933.01 g/mol. Its IUPAC name is 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile
PubChem CID137382258
Molecular FormulaC63H35F3N6
Molecular Weight933.01 g/mol
Exact Mass932.29
IUPAC Name3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C#N)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C63H35F3N6/c64-63(65,66)51-25-15-16-38(36-67)57(51)49-34-35-56(71-54-28-13-9-23-43(54)47-32-30-45-41-21-7-11-26-52(41)69(59(45)61(47)71)39-17-3-1-4-18-39)50(37-68)58(49)72-55-29-14-10-24-44(55)48-33-31-46-42-22-8-12-27-53(42)70(60(46)62(48)72)40-19-5-2-6-20-40/h1-35H
InChIKeyTULZLAIBTHTRLS-UHFFFAOYSA-N
XLogP16.50
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.01
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-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-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 137381588
2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381579
3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 137381557
9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-3-(2-cyanocarbazol-9-yl)phenyl]carbazole-2-carbonitrile
CID 137393096
3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 137381734
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 137392931
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 146520993
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 142508809
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146520055
2-(3,6-difluorocarbazol-9-yl)-4-(11-phenylindolo[2,3-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 118927757
2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382179
2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386541

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile?
The IUPAC name of 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile (CID 137382258) is 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile?
The canonical SMILES for 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile is N#Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C#N)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile?
The InChIKey is TULZLAIBTHTRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H35F3N6/c64-63(65,66)51-25-15-16-38(36-67)57(51)49-34-35-56(71-54-28-13-9-23-43(54)47-32-30-45-41-21-7-11-26-52(41)69(59(45)61(47)71)39-17-3-1-4-18-39)50(37-68)58(49)72-55-29-14-10-24-44(55)48-33-31-46-42-22-8-12-27-53(42)70(60(46)62(48)72)40-19-5-2-6-20-40/h1-35H.
What are the key properties of 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile?
3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile has a molecular weight of 933.01 g/mol, XLogP of 16.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 137382258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).