3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile

C50H28N6 — CID 142495084

IUPAC3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cnccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C50H28N6/c51-28-32-17-20-41(50(25-32)56-46-16-8-6-14-40(46)43-27-34(19-22-48(43)56)38-12-4-2-10-36(38)30-53)44-31-54-24-23-49(44)55-45-15-7-5-13-39(45)42-26-33(18-21-47(42)55)37-11-3-1-9-35(37)29-52/h1-27,31H
InChIKeyMVYJSKKIVLWARZ-UHFFFAOYSA-N
MW712.82 g/mol
LogP11.89
Rot. Bonds5

About 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile

3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile (PubChem CID 142495084) has the molecular formula C50H28N6 and a molecular weight of 712.82 g/mol. Its IUPAC name is 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
PubChem CID142495084
Molecular FormulaC50H28N6
Molecular Weight712.82 g/mol
Exact Mass712.24
IUPAC Name3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cnccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C50H28N6/c51-28-32-17-20-41(50(25-32)56-46-16-8-6-14-40(46)43-27-34(19-22-48(43)56)38-12-4-2-10-36(38)30-53)44-31-54-24-23-49(44)55-45-15-7-5-13-39(45)42-26-33(18-21-47(42)55)37-11-3-1-9-35(37)29-52/h1-27,31H
InChIKeyMVYJSKKIVLWARZ-UHFFFAOYSA-N
XLogP11.89
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.82
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 153455519
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-(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
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
CID 162614133
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003308
9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542601
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628
4-[4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-3-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 157398570
3-[9-[3-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
CID 162614131
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
3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 159047347

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile (CID 142495084) is 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile is N#Cc1ccc(-c2cnccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1.
What is the InChIKey of 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The InChIKey is MVYJSKKIVLWARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6/c51-28-32-17-20-41(50(25-32)56-46-16-8-6-14-40(46)43-27-34(19-22-48(43)56)38-12-4-2-10-36(38)30-53)44-31-54-24-23-49(44)55-45-15-7-5-13-39(45)42-26-33(18-21-47(42)55)37-11-3-1-9-35(37)29-52/h1-27,31H.
What are the key properties of 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile has a molecular weight of 712.82 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 142495084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).