3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile

C66H34F3N7 — CID 146238055

IUPAC3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c2)c1
InChIInChI=1S/C66H34F3N7/c67-66(68,69)65-63(75-59-29-50(45-11-1-6-40(24-45)35-70)16-20-55(59)56-21-17-51(30-60(56)75)46-12-2-7-41(25-46)36-71)33-54(49-15-5-10-44(28-49)39-74)34-64(65)76-61-31-52(47-13-3-8-42(26-47)37-72)18-22-57(61)58-23-19-53(32-62(58)76)48-14-4-9-43(27-48)38-73/h1-34H
InChIKeyHZUWQZUZSNARAR-UHFFFAOYSA-N
MW982.04 g/mol
LogP16.59
Rot. Bonds7

About 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile

3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile (PubChem CID 146238055) has the molecular formula C66H34F3N7 and a molecular weight of 982.04 g/mol. Its IUPAC name is 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
PubChem CID146238055
Molecular FormulaC66H34F3N7
Molecular Weight982.04 g/mol
Exact Mass981.28
IUPAC Name3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c2)c1
InChIInChI=1S/C66H34F3N7/c67-66(68,69)65-63(75-59-29-50(45-11-1-6-40(24-45)35-70)16-20-55(59)56-21-17-51(30-60(56)75)46-12-2-7-41(25-46)36-71)33-54(49-15-5-10-44(28-49)39-74)34-64(65)76-61-31-52(47-13-3-8-42(26-47)37-72)18-22-57(61)58-23-19-53(32-62(58)76)48-14-4-9-43(27-48)38-73/h1-34H
InChIKeyHZUWQZUZSNARAR-UHFFFAOYSA-N
XLogP16.59
TPSA128.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.04
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238063
3-[3,5-bis(2,7-ditert-butylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377995
2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 159473488
2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377522
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
3-[3,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238232
3-[3,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146237861
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300612
3-[2,4-bis(2,7-diphenylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]benzonitrile
CID 146237856
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-[9-[2-(3-cyanophenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile
CID 142465716
3-[4,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 155377888

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile?
The IUPAC name of 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile (CID 146238055) is 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile?
The canonical SMILES for 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c2)c1.
What is the InChIKey of 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile?
The InChIKey is HZUWQZUZSNARAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H34F3N7/c67-66(68,69)65-63(75-59-29-50(45-11-1-6-40(24-45)35-70)16-20-55(59)56-21-17-51(30-60(56)75)46-12-2-7-41(25-46)36-71)33-54(49-15-5-10-44(28-49)39-74)34-64(65)76-61-31-52(47-13-3-8-42(26-47)37-72)18-22-57(61)58-23-19-53(32-62(58)76)48-14-4-9-43(27-48)38-73/h1-34H.
What are the key properties of 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile?
3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile has a molecular weight of 982.04 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile is sourced from PubChem (CID 146238055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).