3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile

C66H34N8 — CID 142465868

IUPAC3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2-c2cccc(C#N)c2)c1
InChIInChI=1S/C66H34N8/c67-35-41-6-1-11-47(24-41)51-16-20-60-56(31-51)57-32-52(48-12-2-7-42(25-48)36-68)17-21-61(57)73(60)64-29-46(40-72)30-65(66(64)55-15-5-10-45(28-55)39-71)74-62-22-18-53(49-13-3-8-43(26-49)37-69)33-58(62)59-34-54(19-23-63(59)74)50-14-4-9-44(27-50)38-70/h1-34H
InChIKeyWLRUFWOPGUBBGK-UHFFFAOYSA-N
MW939.05 g/mol
LogP15.45
Rot. Bonds7

About 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile

3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (PubChem CID 142465868) has the molecular formula C66H34N8 and a molecular weight of 939.05 g/mol. Its IUPAC name is 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
PubChem CID142465868
Molecular FormulaC66H34N8
Molecular Weight939.05 g/mol
Exact Mass938.29
IUPAC Name3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2-c2cccc(C#N)c2)c1
InChIInChI=1S/C66H34N8/c67-35-41-6-1-11-47(24-41)51-16-20-60-56(31-51)57-32-52(48-12-2-7-42(25-48)36-68)17-21-61(57)73(60)64-29-46(40-72)30-65(66(64)55-15-5-10-45(28-55)39-71)74-62-22-18-53(49-13-3-8-43(26-49)37-69)33-58(62)59-34-54(19-23-63(59)74)50-14-4-9-44(27-50)38-70/h1-34H
InChIKeyWLRUFWOPGUBBGK-UHFFFAOYSA-N
XLogP15.45
TPSA152.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.05
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237910
4-(3-cyanophenyl)-3,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 142465963
3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377908
4-(3-cyanophenyl)-3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 162083816
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784
9-[2-(3-cyanophenyl)-3-(3,6-dicyanocarbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazole-3,6-dicarbonitrile
CID 146238098
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802
5-[9-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146847580
4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(3-cyanophenyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146237996
4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146237957
3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 142466016
5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538809

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The IUPAC name of 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (CID 142465868) is 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2-c2cccc(C#N)c2)c1.
What is the InChIKey of 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The InChIKey is WLRUFWOPGUBBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H34N8/c67-35-41-6-1-11-47(24-41)51-16-20-60-56(31-51)57-32-52(48-12-2-7-42(25-48)36-68)17-21-61(57)73(60)64-29-46(40-72)30-65(66(64)55-15-5-10-45(28-55)39-71)74-62-22-18-53(49-13-3-8-43(26-49)37-69)33-58(62)59-34-54(19-23-63(59)74)50-14-4-9-44(27-50)38-70/h1-34H.
What are the key properties of 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile has a molecular weight of 939.05 g/mol, XLogP of 15.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 142465868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).