2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile

C82H50F3N7 — CID 137386365

IUPAC2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2ccccc2C(F)(F)F)cc1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C82H50F3N7/c83-82(84,85)71-32-14-13-27-65(71)70-50-76(91-72-37-33-56(61-28-15-41-87-78(61)52-19-5-1-6-20-52)45-66(72)67-46-57(34-38-73(67)91)62-29-16-42-88-79(62)53-21-7-2-8-22-53)60(51-86)49-77(70)92-74-39-35-58(63-30-17-43-89-80(63)54-23-9-3-10-24-54)47-68(74)69-48-59(36-40-75(69)92)64-31-18-44-90-81(64)55-25-11-4-12-26-55/h1-50H
InChIKeyARCNUFAEHGOZDA-UHFFFAOYSA-N
MW1190.35 g/mol
LogP21.35
Rot. Bonds11

About 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile

2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386365) has the molecular formula C82H50F3N7 and a molecular weight of 1190.35 g/mol. Its IUPAC name is 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386365
Molecular FormulaC82H50F3N7
Molecular Weight1190.35 g/mol
Exact Mass1189.41
IUPAC Name2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2ccccc2C(F)(F)F)cc1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C82H50F3N7/c83-82(84,85)71-32-14-13-27-65(71)70-50-76(91-72-37-33-56(61-28-15-41-87-78(61)52-19-5-1-6-20-52)45-66(72)67-46-57(34-38-73(67)91)62-29-16-42-88-79(62)53-21-7-2-8-22-53)60(51-86)49-77(70)92-74-39-35-58(63-30-17-43-89-80(63)54-23-9-3-10-24-54)47-68(74)69-48-59(36-40-75(69)92)64-31-18-44-90-81(64)55-25-11-4-12-26-55/h1-50H
InChIKeyARCNUFAEHGOZDA-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 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-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

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386365) is 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2ccccc2C(F)(F)F)cc1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cccnc3-c3ccccc3)ccc21.
What is the InChIKey of 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is ARCNUFAEHGOZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F3N7/c83-82(84,85)71-32-14-13-27-65(71)70-50-76(91-72-37-33-56(61-28-15-41-87-78(61)52-19-5-1-6-20-52)45-66(72)67-46-57(34-38-73(67)91)62-29-16-42-88-79(62)53-21-7-2-8-22-53)60(51-86)49-77(70)92-74-39-35-58(63-30-17-43-89-80(63)54-23-9-3-10-24-54)47-68(74)69-48-59(36-40-75(69)92)64-31-18-44-90-81(64)55-25-11-4-12-26-55/h1-50H.
What are the key properties of 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[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 2,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).