3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile

C67H33F3N8 — CID 142414331

IUPAC3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4ccc(C#N)cc4C(F)(F)F)c3c2)cc1
InChIInChI=1S/C67H33F3N8/c68-67(69,70)59-27-44(38-75)9-22-58(59)66-64(77-60-30-50(46-10-1-40(34-71)2-11-46)18-23-54(60)55-24-19-51(31-61(55)77)47-12-3-41(35-72)4-13-47)28-45(39-76)29-65(66)78-62-32-52(48-14-5-42(36-73)6-15-48)20-25-56(62)57-26-21-53(33-63(57)78)49-16-7-43(37-74)8-17-49/h1-33H
InChIKeyFUHOFHCGDYJTQH-UHFFFAOYSA-N
MW1007.05 g/mol
LogP16.46
Rot. Bonds7

About 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile

3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 142414331) has the molecular formula C67H33F3N8 and a molecular weight of 1007.05 g/mol. Its IUPAC name is 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID142414331
Molecular FormulaC67H33F3N8
Molecular Weight1007.05 g/mol
Exact Mass1006.28
IUPAC Name3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4ccc(C#N)cc4C(F)(F)F)c3c2)cc1
InChIInChI=1S/C67H33F3N8/c68-67(69,70)59-27-44(38-75)9-22-58(59)66-64(77-60-30-50(46-10-1-40(34-71)2-11-46)18-23-54(60)55-24-19-51(31-61(55)77)47-12-3-41(35-72)4-13-47)28-45(39-76)29-65(66)78-62-32-52(48-14-5-42(36-73)6-15-48)20-25-56(62)57-26-21-53(33-63(57)78)49-16-7-43(37-74)8-17-49/h1-33H
InChIKeyFUHOFHCGDYJTQH-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-[4-cyano-2-(trifluoromethyl)phenyl]-3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 142414332
3-[2-[3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-cyano-2-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-2,7-bis(3-cyanophenyl)carbazol-4-yl]-4-cyanophenyl]carbazol-9-yl]-5-[2-(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 171929847
3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386429
3,5-bis[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4-cyano-2-methylphenyl)benzonitrile
CID 161387011
3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 153303084
3,5-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 137386936
3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-[2-fluoro-6-(trifluoromethyl)phenyl]benzonitrile
CID 168764759
3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302206
3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386806
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137392595
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 137392780
4-[2,4-bis(trifluoromethyl)phenyl]-3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 138567288

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile (CID 142414331) is 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4ccc(C#N)cc4C(F)(F)F)c3c2)cc1.
What is the InChIKey of 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is FUHOFHCGDYJTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H33F3N8/c68-67(69,70)59-27-44(38-75)9-22-58(59)66-64(77-60-30-50(46-10-1-40(34-71)2-11-46)18-23-54(60)55-24-19-51(31-61(55)77)47-12-3-41(35-72)4-13-47)28-45(39-76)29-65(66)78-62-32-52(48-14-5-42(36-73)6-15-48)20-25-56(62)57-26-21-53(33-63(57)78)49-16-7-43(37-74)8-17-49/h1-33H.
What are the key properties of 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[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 3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 142414331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).