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

C60H36F3N5 — CID 137386363

IUPAC2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C60H36F3N5/c61-60(62,63)51-24-10-7-19-45(51)50-36-56(67-52-25-11-8-20-46(52)48-33-40(27-29-54(48)67)43-22-13-31-65-58(43)38-15-3-1-4-16-38)42(37-64)35-57(50)68-53-26-12-9-21-47(53)49-34-41(28-30-55(49)68)44-23-14-32-66-59(44)39-17-5-2-6-18-39/h1-36H
InChIKeyWOQPHGYWDIAVOC-UHFFFAOYSA-N
MW883.98 g/mol
LogP15.90
Rot. Bonds7

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

2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386363) has the molecular formula C60H36F3N5 and a molecular weight of 883.98 g/mol. Its IUPAC name is 2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386363
Molecular FormulaC60H36F3N5
Molecular Weight883.98 g/mol
Exact Mass883.29
IUPAC Name2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C60H36F3N5/c61-60(62,63)51-24-10-7-19-45(51)50-36-56(67-52-25-11-8-20-46(52)48-33-40(27-29-54(48)67)43-22-13-31-65-58(43)38-15-3-1-4-16-38)42(37-64)35-57(50)68-53-26-12-9-21-47(53)49-34-41(28-30-55(49)68)44-23-14-32-66-59(44)39-17-5-2-6-18-39/h1-36H
InChIKeyWOQPHGYWDIAVOC-UHFFFAOYSA-N
XLogP15.90
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.98
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-bis[3-(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-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386363) is 2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2ccccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3cccnc3-c3ccccc3)ccc21.
What is the InChIKey of 2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is WOQPHGYWDIAVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F3N5/c61-60(62,63)51-24-10-7-19-45(51)50-36-56(67-52-25-11-8-20-46(52)48-33-40(27-29-54(48)67)43-22-13-31-65-58(43)38-15-3-1-4-16-38)42(37-64)35-57(50)68-53-26-12-9-21-47(53)49-34-41(28-30-55(49)68)44-23-14-32-66-59(44)39-17-5-2-6-18-39/h1-36H.
What are the key properties of 2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 883.98 g/mol, XLogP of 15.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).