3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

C52H32F3N5 — CID 137386791

IUPAC3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)c4-c4ccccc4C(F)(F)F)c3c21
InChIInChI=1S/C52H32F3N5/c1-57-41-19-9-4-13-31(41)35-23-25-37-33-15-6-11-21-43(33)59(50(37)48(35)57)45-27-30(29-56)28-46(47(45)39-17-3-8-18-40(39)52(53,54)55)60-44-22-12-7-16-34(44)38-26-24-36-32-14-5-10-20-42(32)58(2)49(36)51(38)60/h3-28H,1-2H3
InChIKeyMEPGUHICUNJDAG-UHFFFAOYSA-N
MW783.86 g/mol
LogP13.73
Rot. Bonds3

About 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386791) has the molecular formula C52H32F3N5 and a molecular weight of 783.86 g/mol. Its IUPAC name is 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386791
Molecular FormulaC52H32F3N5
Molecular Weight783.86 g/mol
Exact Mass783.26
IUPAC Name3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)c4-c4ccccc4C(F)(F)F)c3c21
InChIInChI=1S/C52H32F3N5/c1-57-41-19-9-4-13-31(41)35-23-25-37-33-15-6-11-21-43(33)59(50(37)48(35)57)45-27-30(29-56)28-46(47(45)39-17-3-8-18-40(39)52(53,54)55)60-44-22-12-7-16-34(44)38-26-24-36-32-14-5-10-20-42(32)58(2)49(36)51(38)60/h3-28H,1-2H3
InChIKeyMEPGUHICUNJDAG-UHFFFAOYSA-N
XLogP13.73
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.86
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(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

3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386429
3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386806
3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 158191150
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 146519834
4-[2,4-bis(trifluoromethyl)phenyl]-3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 138567288
5-[4-cyano-3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538922
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 137392780
4-[2,4-bis(trifluoromethyl)phenyl]-3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134473623
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
4-(3-cyano-5-methylphenyl)-2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 159036284
4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 142465728
4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile
CID 146546450

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386791) is 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is Cn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)c4-c4ccccc4C(F)(F)F)c3c21.
What is the InChIKey of 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is MEPGUHICUNJDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F3N5/c1-57-41-19-9-4-13-31(41)35-23-25-37-33-15-6-11-21-43(33)59(50(37)48(35)57)45-27-30(29-56)28-46(47(45)39-17-3-8-18-40(39)52(53,54)55)60-44-22-12-7-16-34(44)38-26-24-36-32-14-5-10-20-42(32)58(2)49(36)51(38)60/h3-28H,1-2H3.
What are the key properties of 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 783.86 g/mol, XLogP of 13.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).