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

C60H36F3N5 — CID 155377672

IUPAC3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c2)c1
InChIInChI=1S/C60H36F3N5/c61-60(62,63)57-55(67-51-24-9-7-20-47(51)49-33-42(26-28-53(49)67)45-22-12-30-65-58(45)39-15-3-1-4-16-39)35-44(41-19-11-14-38(32-41)37-64)36-56(57)68-52-25-10-8-21-48(52)50-34-43(27-29-54(50)68)46-23-13-31-66-59(46)40-17-5-2-6-18-40/h1-36H
InChIKeyCGWASLWECOSJJP-UHFFFAOYSA-N
MW883.98 g/mol
LogP15.90
Rot. Bonds7

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

3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 155377672) has the molecular formula C60H36F3N5 and a molecular weight of 883.98 g/mol. Its IUPAC name is 3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
PubChem CID155377672
Molecular FormulaC60H36F3N5
Molecular Weight883.98 g/mol
Exact Mass883.29
IUPAC Name3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c2)c1
InChIInChI=1S/C60H36F3N5/c61-60(62,63)57-55(67-51-24-9-7-20-47(51)49-33-42(26-28-53(49)67)45-22-12-30-65-58(45)39-15-3-1-4-16-39)35-44(41-19-11-14-38(32-41)37-64)36-56(57)68-52-25-10-8-21-48(52)50-34-43(27-29-54(50)68)46-23-13-31-66-59(46)40-17-5-2-6-18-40/h1-36H
InChIKeyCGWASLWECOSJJP-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

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Related Compounds

3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146984250
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377671
2-[3-cyano-5-(trifluoromethyl)phenyl]-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 155427705
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386784
3-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238097
3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 160603792
4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544200
5-[3,5-bis[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612272
3-[4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465982
5-[9-[5-(3-cyanophenyl)-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146238202
3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155378016

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile (CID 155377672) is 3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c2)c1.
What is the InChIKey of 3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is CGWASLWECOSJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F3N5/c61-60(62,63)57-55(67-51-24-9-7-20-47(51)49-33-42(26-28-53(49)67)45-22-12-30-65-58(45)39-15-3-1-4-16-39)35-44(41-19-11-14-38(32-41)37-64)36-56(57)68-52-25-10-8-21-48(52)50-34-43(27-29-54(50)68)46-23-13-31-66-59(46)40-17-5-2-6-18-40/h1-36H.
What are the key properties of 3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile?
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(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 3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 155377672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).