2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile

C82H50F3N7 — CID 137386428

IUPAC2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2cc(-c3ccnc(-c4ccccc4)c3)ccc2c2ccc(-c3ccnc(-c4ccccc4)c3)cc21
InChIInChI=1S/C82H50F3N7/c83-82(84,85)71-24-14-13-23-64(71)69-33-34-76(91-77-47-56(60-35-39-87-72(43-60)52-15-5-1-6-16-52)25-29-65(77)66-30-26-57(48-78(66)91)61-36-40-88-73(44-61)53-17-7-2-8-18-53)70(51-86)81(69)92-79-49-58(62-37-41-89-74(45-62)54-19-9-3-10-20-54)27-31-67(79)68-32-28-59(50-80(68)92)63-38-42-90-75(46-63)55-21-11-4-12-22-55/h1-50H
InChIKeyUMSQTCXJDCOBAK-UHFFFAOYSA-N
MW1190.35 g/mol
LogP21.35
Rot. Bonds11

About 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile

2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386428) has the molecular formula C82H50F3N7 and a molecular weight of 1190.35 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386428
Molecular FormulaC82H50F3N7
Molecular Weight1190.35 g/mol
Exact Mass1189.41
IUPAC Name2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2cc(-c3ccnc(-c4ccccc4)c3)ccc2c2ccc(-c3ccnc(-c4ccccc4)c3)cc21
InChIInChI=1S/C82H50F3N7/c83-82(84,85)71-24-14-13-23-64(71)69-33-34-76(91-77-47-56(60-35-39-87-72(43-60)52-15-5-1-6-16-52)25-29-65(77)66-30-26-57(48-78(66)91)61-36-40-88-73(44-61)53-17-7-2-8-18-53)70(51-86)81(69)92-79-49-58(62-37-41-89-74(45-62)54-19-9-3-10-20-54)27-31-67(79)68-32-28-59(50-80(68)92)63-38-42-90-75(46-63)55-21-11-4-12-22-55/h1-50H
InChIKeyUMSQTCXJDCOBAK-UHFFFAOYSA-N
XLogP21.35
TPSA85.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.35
LogP ≤ 521.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[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

2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386391
2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386541
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-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 137381557
2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146520059
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146520055
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 142508809
9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole
CID 154960404
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 137381588
2,6-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427639

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386428) is 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2cc(-c3ccnc(-c4ccccc4)c3)ccc2c2ccc(-c3ccnc(-c4ccccc4)c3)cc21.
What is the InChIKey of 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is UMSQTCXJDCOBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F3N7/c83-82(84,85)71-24-14-13-23-64(71)69-33-34-76(91-77-47-56(60-35-39-87-72(43-60)52-15-5-1-6-16-52)25-29-65(77)66-30-26-57(48-78(66)91)61-36-40-88-73(44-61)53-17-7-2-8-18-53)70(51-86)81(69)92-79-49-58(62-37-41-89-74(45-62)54-19-9-3-10-20-54)27-31-67(79)68-32-28-59(50-80(68)92)63-38-42-90-75(46-63)55-21-11-4-12-22-55/h1-50H.
What are the key properties of 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1190.35 g/mol, XLogP of 21.35, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).