5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile

C50H28N6O2 — CID 134235000

IUPAC5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3c4ccc(-c5cncc(C#N)c5)cc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)c1
InChIInChI=1S/C50H28N6O2/c51-25-31-20-38(29-53-27-31)36-14-17-40-41-18-15-37(39-21-32(26-52)28-54-30-39)24-47(41)55(46(40)23-36)45-13-7-12-42-48(45)50(58)56(49(42)57)44-19-16-35(33-8-3-1-4-9-33)22-43(44)34-10-5-2-6-11-34/h1-24,27-30H
InChIKeyQVLOOEOLDBPDTO-UHFFFAOYSA-N
MW744.81 g/mol
LogP10.79
Rot. Bonds6

About 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile

5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile (PubChem CID 134235000) has the molecular formula C50H28N6O2 and a molecular weight of 744.81 g/mol. Its IUPAC name is 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile
PubChem CID134235000
Molecular FormulaC50H28N6O2
Molecular Weight744.81 g/mol
Exact Mass744.23
IUPAC Name5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3c4ccc(-c5cncc(C#N)c5)cc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)c1
InChIInChI=1S/C50H28N6O2/c51-25-31-20-38(29-53-27-31)36-14-17-40-41-18-15-37(39-21-32(26-52)28-54-30-39)24-47(41)55(46(40)23-36)45-13-7-12-42-48(45)50(58)56(49(42)57)44-19-16-35(33-8-3-1-4-9-33)22-43(44)34-10-5-2-6-11-34/h1-24,27-30H
InChIKeyQVLOOEOLDBPDTO-UHFFFAOYSA-N
XLogP10.79
TPSA115.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.81
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
CID 134241118
3-[7-(3-cyanophenyl)-9-[2-(2,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzonitrile
CID 134241214
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134240962
4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234272
5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine
CID 142280805
5-[7-(3,5-dicyanophenyl)-9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234699
acetonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile
CID 142280776
2-(2,4-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234617
5-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234517
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 134241101
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134234299

Frequently Asked Questions

What is the IUPAC name of 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile (CID 134235000) is 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc3c4ccc(-c5cncc(C#N)c5)cc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)c1.
What is the InChIKey of 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile?
The InChIKey is QVLOOEOLDBPDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6O2/c51-25-31-20-38(29-53-27-31)36-14-17-40-41-18-15-37(39-21-32(26-52)28-54-30-39)24-47(41)55(46(40)23-36)45-13-7-12-42-48(45)50(58)56(49(42)57)44-19-16-35(33-8-3-1-4-9-33)22-43(44)34-10-5-2-6-11-34/h1-24,27-30H.
What are the key properties of 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile?
5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 744.81 g/mol, XLogP of 10.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134235000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).