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

C60H36F3N5 — CID 146984250

IUPAC3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc2C(F)(F)F)c1
InChIInChI=1S/C60H36F3N5/c61-60(62,63)51-36-57(68-53-25-10-8-21-47(53)50-34-43(27-29-55(50)68)45-23-13-31-66-59(45)40-17-5-2-6-18-40)56(35-48(51)41-19-11-14-38(32-41)37-64)67-52-24-9-7-20-46(52)49-33-42(26-28-54(49)67)44-22-12-30-65-58(44)39-15-3-1-4-16-39/h1-36H
InChIKeyAOXVCVMFJOZTMX-UHFFFAOYSA-N
MW883.98 g/mol
LogP15.90
Rot. Bonds7

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

3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 146984250) has the molecular formula C60H36F3N5 and a molecular weight of 883.98 g/mol. Its IUPAC name is 3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID146984250
Molecular FormulaC60H36F3N5
Molecular Weight883.98 g/mol
Exact Mass883.29
IUPAC Name3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc2C(F)(F)F)c1
InChIInChI=1S/C60H36F3N5/c61-60(62,63)51-36-57(68-53-25-10-8-21-47(53)50-34-43(27-29-55(50)68)45-23-13-31-66-59(45)40-17-5-2-6-18-40)56(35-48(51)41-19-11-14-38(32-41)37-64)67-52-24-9-7-20-46(52)49-33-42(26-28-54(49)67)44-22-12-30-65-58(44)39-15-3-1-4-16-39/h1-36H
InChIKeyAOXVCVMFJOZTMX-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-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465982
3-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377672
3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162611002
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-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
2-[3-cyano-5-(trifluoromethyl)phenyl]-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 155427705
2-[9-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155377871
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386784
3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 146892582
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
5-[9-[5-(3-cyanophenyl)-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238206
3-[2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 142465777

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile (CID 146984250) is 3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc2C(F)(F)F)c1.
What is the InChIKey of 3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is AOXVCVMFJOZTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F3N5/c61-60(62,63)51-36-57(68-53-25-10-8-21-47(53)50-34-43(27-29-55(50)68)45-23-13-31-66-59(45)40-17-5-2-6-18-40)56(35-48(51)41-19-11-14-38(32-41)37-64)67-52-24-9-7-20-46(52)49-33-42(26-28-54(49)67)44-22-12-30-65-58(44)39-15-3-1-4-16-39/h1-36H.
What are the key properties of 3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile?
3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-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 3-[4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 146984250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).