4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile

C52H32N6 — CID 142465728

IUPAC4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)c3-c3cccc(C#N)c3)c12
InChIInChI=1S/C52H32N6/c1-55-40-18-7-5-16-38(40)49-44(55)24-22-36-34-14-3-9-20-42(34)57(51(36)49)46-27-32(30-54)28-47(48(46)33-13-11-12-31(26-33)29-53)58-43-21-10-4-15-35(43)37-23-25-45-50(52(37)58)39-17-6-8-19-41(39)56(45)2/h3-28H,1-2H3
InChIKeyXTHPERGNRDTZAK-UHFFFAOYSA-N
MW740.87 g/mol
LogP12.58
Rot. Bonds3

About 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile

4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 142465728) has the molecular formula C52H32N6 and a molecular weight of 740.87 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID142465728
Molecular FormulaC52H32N6
Molecular Weight740.87 g/mol
Exact Mass740.27
IUPAC Name4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)c3-c3cccc(C#N)c3)c12
InChIInChI=1S/C52H32N6/c1-55-40-18-7-5-16-38(40)49-44(55)24-22-36-34-14-3-9-20-42(34)57(51(36)49)46-27-32(30-54)28-47(48(46)33-13-11-12-31(26-33)29-53)58-43-21-10-4-15-35(43)37-23-25-45-50(52(37)58)39-17-6-8-19-41(39)56(45)2/h3-28H,1-2H3
InChIKeyXTHPERGNRDTZAK-UHFFFAOYSA-N
XLogP12.58
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 167107914
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137386619
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 155377911
3-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 142508625
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
3-[2,5-di(carbazol-9-yl)-3-(3-cyanophenyl)-4,6-dimethylphenyl]benzonitrile
CID 139554104
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802
3,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(3-cyanophenyl)benzonitrile
CID 139432764
5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538809
12-(3,5-diphenylphenyl)-5-methylindolo[3,2-c]carbazole
CID 149056989

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 142465728) is 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile is Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)c3-c3cccc(C#N)c3)c12.
What is the InChIKey of 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is XTHPERGNRDTZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6/c1-55-40-18-7-5-16-38(40)49-44(55)24-22-36-34-14-3-9-20-42(34)57(51(36)49)46-27-32(30-54)28-47(48(46)33-13-11-12-31(26-33)29-53)58-43-21-10-4-15-35(43)37-23-25-45-50(52(37)58)39-17-6-8-19-41(39)56(45)2/h3-28H,1-2H3.
What are the key properties of 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile?
4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 740.87 g/mol, XLogP of 12.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 142465728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).