9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile

C40H18N8 — CID 134292629

IUPAC9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1cc(-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)c(-c2ccncc2)c(-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C40H18N8/c41-19-24-1-5-30-31-6-2-25(20-42)14-35(31)47(34(30)13-24)38-17-28(23-45)18-39(40(38)29-9-11-46-12-10-29)48-36-15-26(21-43)3-7-32(36)33-8-4-27(22-44)16-37(33)48/h1-18H
InChIKeyFSHDJGJTBOKNOX-UHFFFAOYSA-N
MW610.64 g/mol
LogP8.30
Rot. Bonds3

About 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile

9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile (PubChem CID 134292629) has the molecular formula C40H18N8 and a molecular weight of 610.64 g/mol. Its IUPAC name is 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile.

Molecular Properties

Compound Name9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile
PubChem CID134292629
Molecular FormulaC40H18N8
Molecular Weight610.64 g/mol
Exact Mass610.17
IUPAC Name9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1cc(-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)c(-c2ccncc2)c(-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C40H18N8/c41-19-24-1-5-30-31-6-2-25(20-42)14-35(31)47(34(30)13-24)38-17-28(23-45)18-39(40(38)29-9-11-46-12-10-29)48-36-15-26(21-43)3-7-32(36)33-8-4-27(22-44)16-37(33)48/h1-18H
InChIKeyFSHDJGJTBOKNOX-UHFFFAOYSA-N
XLogP8.30
TPSA141.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.64
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile
CID 134292628
3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134296240
3,5-bis(2,7-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134296232
3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096
3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 161207738
3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302206
9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155218027
4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile
CID 146187161
3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296253
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
3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134293116
4-[3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 142452373

Frequently Asked Questions

What is the IUPAC name of 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile?
The IUPAC name of 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile (CID 134292629) is 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile.
What is the SMILES notation for 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile?
The canonical SMILES for 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile is N#Cc1cc(-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)c(-c2ccncc2)c(-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)c1.
What is the InChIKey of 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile?
The InChIKey is FSHDJGJTBOKNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H18N8/c41-19-24-1-5-30-31-6-2-25(20-42)14-35(31)47(34(30)13-24)38-17-28(23-45)18-39(40(38)29-9-11-46-12-10-29)48-36-15-26(21-43)3-7-32(36)33-8-4-27(22-44)16-37(33)48/h1-18H.
What are the key properties of 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile?
9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile has a molecular weight of 610.64 g/mol, XLogP of 8.30, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile is sourced from PubChem (CID 134292629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).