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

C60H36F3N5 — CID 155377839

IUPAC3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C(F)(F)F)c2-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C60H36F3N5/c61-60(62,63)58-57(67-53-26-9-7-20-45(53)47-35-42(28-31-55(47)67)51-24-12-22-49(65-51)39-15-3-1-4-16-39)33-30-44(41-19-11-14-38(34-41)37-64)59(58)68-54-27-10-8-21-46(54)48-36-43(29-32-56(48)68)52-25-13-23-50(66-52)40-17-5-2-6-18-40/h1-36H
InChIKeyICIKSGRGIGOPBU-UHFFFAOYSA-N
MW883.98 g/mol
LogP15.90
Rot. Bonds7

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

3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 155377839) has the molecular formula C60H36F3N5 and a molecular weight of 883.98 g/mol. Its IUPAC name is 3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile
PubChem CID155377839
Molecular FormulaC60H36F3N5
Molecular Weight883.98 g/mol
Exact Mass883.29
IUPAC Name3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C(F)(F)F)c2-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C60H36F3N5/c61-60(62,63)58-57(67-53-26-9-7-20-45(53)47-35-42(28-31-55(47)67)51-24-12-22-49(65-51)39-15-3-1-4-16-39)33-30-44(41-19-11-14-38(34-41)37-64)59(58)68-54-27-10-8-21-46(54)48-36-43(29-32-56(48)68)52-25-13-23-50(66-52)40-17-5-2-6-18-40/h1-36H
InChIKeyICIKSGRGIGOPBU-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

5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 142465726
3-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
9-[3-(2-cyanocarbazol-9-yl)-4-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]carbazole-2-carbonitrile
CID 142465811
3-[2,4-bis(2,7-diphenylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]benzonitrile
CID 146237856
4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene
CID 142465969
3-[2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544320
3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 155427570
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386762
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 142508821
3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146237978
3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
CID 126610495
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 155446592

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile (CID 155377839) is 3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C(F)(F)F)c2-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1.
What is the InChIKey of 3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is ICIKSGRGIGOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F3N5/c61-60(62,63)58-57(67-53-26-9-7-20-45(53)47-35-42(28-31-55(47)67)51-24-12-22-49(65-51)39-15-3-1-4-16-39)33-30-44(41-19-11-14-38(34-41)37-64)59(58)68-54-27-10-8-21-46(54)48-36-43(29-32-56(48)68)52-25-13-23-50(66-52)40-17-5-2-6-18-40/h1-36H.
What are the key properties of 3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile?
3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(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-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 155377839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).