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

C82H50F3N7 — CID 137386391

IUPAC2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3cccc(-c4ccccc4)n3)cc2c2cc(-c3cccc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C82H50F3N7/c83-82(84,85)67-28-14-13-27-60(67)61-41-46-80(91-76-42-37-56(72-33-15-29-68(87-72)52-19-5-1-6-20-52)47-62(76)63-48-57(38-43-77(63)91)73-34-16-30-69(88-73)53-21-7-2-8-22-53)66(51-86)81(61)92-78-44-39-58(74-35-17-31-70(89-74)54-23-9-3-10-24-54)49-64(78)65-50-59(40-45-79(65)92)75-36-18-32-71(90-75)55-25-11-4-12-26-55/h1-50H
InChIKeyFBTDVLDUPAESTL-UHFFFAOYSA-N
MW1190.35 g/mol
LogP21.35
Rot. Bonds11

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

2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386391) has the molecular formula C82H50F3N7 and a molecular weight of 1190.35 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386391
Molecular FormulaC82H50F3N7
Molecular Weight1190.35 g/mol
Exact Mass1189.41
IUPAC Name2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3cccc(-c4ccccc4)n3)cc2c2cc(-c3cccc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C82H50F3N7/c83-82(84,85)67-28-14-13-27-60(67)61-41-46-80(91-76-42-37-56(72-33-15-29-68(87-72)52-19-5-1-6-20-52)47-62(76)63-48-57(38-43-77(63)91)73-34-16-30-69(88-73)53-21-7-2-8-22-53)66(51-86)81(61)92-78-44-39-58(74-35-17-31-70(89-74)54-23-9-3-10-24-54)49-64(78)65-50-59(40-45-79(65)92)75-36-18-32-71(90-75)55-25-11-4-12-26-55/h1-50H
InChIKeyFBTDVLDUPAESTL-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[3,6-bis(6-phenyl-2-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-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146520059
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 142508809
2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386428
2,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382087
3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 155427570
2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386541
4-[9-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155216775
3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile
CID 155377839
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 142508821
3-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
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-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 146519991

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386391) is 2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3cccc(-c4ccccc4)n3)cc2c2cc(-c3cccc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is FBTDVLDUPAESTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F3N7/c83-82(84,85)67-28-14-13-27-60(67)61-41-46-80(91-76-42-37-56(72-33-15-29-68(87-72)52-19-5-1-6-20-52)47-62(76)63-48-57(38-43-77(63)91)73-34-16-30-69(88-73)53-21-7-2-8-22-53)66(51-86)81(61)92-78-44-39-58(74-35-17-31-70(89-74)54-23-9-3-10-24-54)49-64(78)65-50-59(40-45-79(65)92)75-36-18-32-71(90-75)55-25-11-4-12-26-55/h1-50H.
What are the key properties of 2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[3,6-bis(6-phenyl-2-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[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).