4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile

C43H25N5 — CID 146187161

IUPAC4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-c2ccncc2)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H25N5/c44-26-28-17-18-35(42(25-28)47-38-13-5-1-9-31(38)32-10-2-6-14-39(32)47)37-24-29(27-45)23-36(30-19-21-46-22-20-30)43(37)48-40-15-7-3-11-33(40)34-12-4-8-16-41(34)48/h1-25H
InChIKeyWBJZLNSEXXXXBV-UHFFFAOYSA-N
MW611.71 g/mol
LogP10.35
Rot. Bonds4

About 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile

4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile (PubChem CID 146187161) has the molecular formula C43H25N5 and a molecular weight of 611.71 g/mol. Its IUPAC name is 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile
PubChem CID146187161
Molecular FormulaC43H25N5
Molecular Weight611.71 g/mol
Exact Mass611.21
IUPAC Name4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-c2ccncc2)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H25N5/c44-26-28-17-18-35(42(25-28)47-38-13-5-1-9-31(38)32-10-2-6-14-39(32)47)37-24-29(27-45)23-36(30-19-21-46-22-20-30)43(37)48-40-15-7-3-11-33(40)34-12-4-8-16-41(34)48/h1-25H
InChIKeyWBJZLNSEXXXXBV-UHFFFAOYSA-N
XLogP10.35
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.71
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628
9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile
CID 134292628
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565522
9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile
CID 134292629
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495034
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]benzonitrile
CID 154603008
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 155081033
3-carbazol-9-yl-4-(2-carbazol-9-yl-4-cyanophenyl)-2-isocyanobenzonitrile
CID 169076227

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile?
The IUPAC name of 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile (CID 146187161) is 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile?
The canonical SMILES for 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile is N#Cc1cc(-c2ccncc2)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile?
The InChIKey is WBJZLNSEXXXXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5/c44-26-28-17-18-35(42(25-28)47-38-13-5-1-9-31(38)32-10-2-6-14-39(32)47)37-24-29(27-45)23-36(30-19-21-46-22-20-30)43(37)48-40-15-7-3-11-33(40)34-12-4-8-16-41(34)48/h1-25H.
What are the key properties of 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile?
4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile has a molecular weight of 611.71 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-3-(2-carbazol-9-yl-4-cyanophenyl)-5-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 146187161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).