4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile

C67H33F3N8 — CID 142414204

IUPAC4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc2C#N)c(C(F)(F)F)c1
InChIInChI=1S/C67H33F3N8/c68-67(69,70)60-27-40(34-71)17-22-54(60)59-33-66(78-63-30-43(52-15-7-3-11-47(52)37-74)20-25-57(63)58-26-21-44(31-64(58)78)53-16-8-4-12-48(53)38-75)65(32-49(59)39-76)77-61-28-41(50-13-5-1-9-45(50)35-72)18-23-55(61)56-24-19-42(29-62(56)77)51-14-6-2-10-46(51)36-73/h1-33H
InChIKeyFOYOXVKHGIPING-UHFFFAOYSA-N
MW1007.05 g/mol
LogP16.46
Rot. Bonds7

About 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile

4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 142414204) has the molecular formula C67H33F3N8 and a molecular weight of 1007.05 g/mol. Its IUPAC name is 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID142414204
Molecular FormulaC67H33F3N8
Molecular Weight1007.05 g/mol
Exact Mass1006.28
IUPAC Name4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc2C#N)c(C(F)(F)F)c1
InChIInChI=1S/C67H33F3N8/c68-67(69,70)60-27-40(34-71)17-22-54(60)59-33-66(78-63-30-43(52-15-7-3-11-47(52)37-74)20-25-57(63)58-26-21-44(31-64(58)78)53-16-8-4-12-48(53)38-75)65(32-49(59)39-76)77-61-28-41(50-13-5-1-9-45(50)35-72)18-23-55(61)56-24-19-42(29-62(56)77)51-14-6-2-10-46(51)36-73/h1-33H
InChIKeyFOYOXVKHGIPING-UHFFFAOYSA-N
XLogP16.46
TPSA152.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.05
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 147981502
4-[9-[4-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465942
5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473751
4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyano-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473750
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-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-3-(trifluoromethyl)benzonitrile
CID 153302782
9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 134473582
4,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386514
2,5-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 153302971
4-[9-[2-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 137381753
4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[4-[3-cyano-4-[9-[5-cyano-2-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]phenyl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 137386518
2-[2,6-bis(trifluoromethyl)phenyl]-4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 137393375

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile (CID 142414204) is 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccc(-c2cc(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc2C#N)c(C(F)(F)F)c1.
What is the InChIKey of 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is FOYOXVKHGIPING-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H33F3N8/c68-67(69,70)60-27-40(34-71)17-22-54(60)59-33-66(78-63-30-43(52-15-7-3-11-47(52)37-74)20-25-57(63)58-26-21-44(31-64(58)78)53-16-8-4-12-48(53)38-75)65(32-49(59)39-76)77-61-28-41(50-13-5-1-9-45(50)35-72)18-23-55(61)56-24-19-42(29-62(56)77)51-14-6-2-10-46(51)36-73/h1-33H.
What are the key properties of 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1007.05 g/mol, XLogP of 16.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 142414204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).