9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile

C52H26N8 — CID 134292915

IUPAC9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(C#N)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C52H26N8/c53-27-32-11-15-47-41(19-32)42-20-33(28-54)12-16-48(42)59(47)51-25-39(31-57)40(38-23-45(36-7-3-1-4-8-36)58-46(24-38)37-9-5-2-6-10-37)26-52(51)60-49-17-13-34(29-55)21-43(49)44-22-35(30-56)14-18-50(44)60/h1-26H
InChIKeyRQWASNBESBAXHW-UHFFFAOYSA-N
MW762.84 g/mol
LogP11.64
Rot. Bonds5

About 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile

9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 134292915) has the molecular formula C52H26N8 and a molecular weight of 762.84 g/mol. Its IUPAC name is 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile
PubChem CID134292915
Molecular FormulaC52H26N8
Molecular Weight762.84 g/mol
Exact Mass762.23
IUPAC Name9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(C#N)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C52H26N8/c53-27-32-11-15-47-41(19-32)42-20-33(28-54)12-16-48(42)59(47)51-25-39(31-57)40(38-23-45(36-7-3-1-4-8-36)58-46(24-38)37-9-5-2-6-10-37)26-52(51)60-49-17-13-34(29-55)21-43(49)44-22-35(30-56)14-18-50(44)60/h1-26H
InChIKeyRQWASNBESBAXHW-UHFFFAOYSA-N
XLogP11.64
TPSA141.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.84
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[5-cyano-2-(3-cyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217697
9-[2-cyano-4-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155217704
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
4,5-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302040
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 166785139
4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 140846660
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 137414835
3-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155014674
2-(4,6-diphenylpyrimidin-2-yl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155217531
4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302142
4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-2-cyano-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155217437
9-[2-cyano-3-(3-cyanocarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217487

Frequently Asked Questions

What is the IUPAC name of 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile (CID 134292915) is 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(C#N)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.
What is the InChIKey of 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is RQWASNBESBAXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H26N8/c53-27-32-11-15-47-41(19-32)42-20-33(28-54)12-16-48(42)59(47)51-25-39(31-57)40(38-23-45(36-7-3-1-4-8-36)58-46(24-38)37-9-5-2-6-10-37)26-52(51)60-49-17-13-34(29-55)21-43(49)44-22-35(30-56)14-18-50(44)60/h1-26H.
What are the key properties of 9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile?
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 762.84 g/mol, XLogP of 11.64, 5 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-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 134292915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).