9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile

C40H18N8 — CID 166785139

IUPAC9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(C#N)c(-c2cccnc2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C40H18N8/c41-18-24-3-7-35-31(12-24)32-13-25(19-42)4-8-36(32)47(35)39-16-29(22-45)30(28-2-1-11-46-23-28)17-40(39)48-37-9-5-26(20-43)14-33(37)34-15-27(21-44)6-10-38(34)48/h1-17,23H
InChIKeyPVNLKWFOMKUFOH-UHFFFAOYSA-N
MW610.64 g/mol
LogP8.30
Rot. Bonds3

About 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile

9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile (PubChem CID 166785139) has the molecular formula C40H18N8 and a molecular weight of 610.64 g/mol. Its IUPAC name is 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
PubChem CID166785139
Molecular FormulaC40H18N8
Molecular Weight610.64 g/mol
Exact Mass610.17
IUPAC Name9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(C#N)c(-c2cccnc2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C40H18N8/c41-18-24-3-7-35-31(12-24)32-13-25(19-42)4-8-36(32)47(35)39-16-29(22-45)30(28-2-1-11-46-23-28)17-40(39)48-37-9-5-26(20-43)14-33(37)34-15-27(21-44)6-10-38(34)48/h1-17,23H
InChIKeyPVNLKWFOMKUFOH-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-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
CID 137388859
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166785159
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile
CID 134292915
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
9-[5-cyano-2-(3-cyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217697
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]-5-pyridin-3-ylbenzonitrile
CID 146187167
9-[2-cyano-4-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155217704
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064655
4-[9-[2-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-3-ylphenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 138663207
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile
CID 166968161

Frequently Asked Questions

What is the IUPAC name of 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile (CID 166785139) is 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(C#N)c(-c2cccnc2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.
What is the InChIKey of 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is PVNLKWFOMKUFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H18N8/c41-18-24-3-7-35-31(12-24)32-13-25(19-42)4-8-36(32)47(35)39-16-29(22-45)30(28-2-1-11-46-23-28)17-40(39)48-37-9-5-26(20-43)14-33(37)34-15-27(21-44)6-10-38(34)48/h1-17,23H.
What are the key properties of 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile?
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-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-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 166785139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).