5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile

C46H23N7 — CID 138565650

IUPAC5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(-c3ccncc3)c(C#N)cc2-c2ccccc2)c1
InChIInChI=1S/C46H23N7/c47-24-29-14-30(25-48)17-37(16-29)35-6-8-44-42(20-35)43-21-36(38-18-31(26-49)15-32(19-38)27-50)7-9-45(43)53(44)46-23-40(34-10-12-52-13-11-34)39(28-51)22-41(46)33-4-2-1-3-5-33/h1-23H
InChIKeyKPGVLSYAQXQJMD-UHFFFAOYSA-N
MW673.74 g/mol
LogP10.21
Rot. Bonds5

About 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile

5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 138565650) has the molecular formula C46H23N7 and a molecular weight of 673.74 g/mol. Its IUPAC name is 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID138565650
Molecular FormulaC46H23N7
Molecular Weight673.74 g/mol
Exact Mass673.20
IUPAC Name5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(-c3ccncc3)c(C#N)cc2-c2ccccc2)c1
InChIInChI=1S/C46H23N7/c47-24-29-14-30(25-48)17-37(16-29)35-6-8-44-42(20-35)43-21-36(38-18-31(26-49)15-32(19-38)27-50)7-9-45(43)53(44)46-23-40(34-10-12-52-13-11-34)39(28-51)22-41(46)33-4-2-1-3-5-33/h1-23H
InChIKeyKPGVLSYAQXQJMD-UHFFFAOYSA-N
XLogP10.21
TPSA136.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.74
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
5-[6-(3,5-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138578657
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566139
5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138729285
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784
4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565522
4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 138565650) is 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(-c3ccncc3)c(C#N)cc2-c2ccccc2)c1.
What is the InChIKey of 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is KPGVLSYAQXQJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H23N7/c47-24-29-14-30(25-48)17-37(16-29)35-6-8-44-42(20-35)43-21-36(38-18-31(26-49)15-32(19-38)27-50)7-9-45(43)53(44)46-23-40(34-10-12-52-13-11-34)39(28-51)22-41(46)33-4-2-1-3-5-33/h1-23H.
What are the key properties of 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 673.74 g/mol, XLogP of 10.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 138565650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).