5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile

C50H28N6O2 — CID 134241118

IUPAC5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc3c4cccc(-c5cncc(C#N)c5)c4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c1
InChIInChI=1S/C50H28N6O2/c51-25-31-22-36(29-53-27-31)38-14-7-16-40-41-17-8-15-39(37-23-32(26-52)28-54-30-37)48(41)55(47(38)40)45-19-9-18-42-46(45)50(58)56(49(42)57)44-21-20-35(33-10-3-1-4-11-33)24-43(44)34-12-5-2-6-13-34/h1-24,27-30H
InChIKeyRIQSOEZUPIRRFJ-UHFFFAOYSA-N
MW744.81 g/mol
LogP10.79
Rot. Bonds6

About 5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile

5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile (PubChem CID 134241118) has the molecular formula C50H28N6O2 and a molecular weight of 744.81 g/mol. Its IUPAC name is 5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
PubChem CID134241118
Molecular FormulaC50H28N6O2
Molecular Weight744.81 g/mol
Exact Mass744.23
IUPAC Name5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc3c4cccc(-c5cncc(C#N)c5)c4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c1
InChIInChI=1S/C50H28N6O2/c51-25-31-22-36(29-53-27-31)38-14-7-16-40-41-17-8-15-39(37-23-32(26-52)28-54-30-37)48(41)55(47(38)40)45-19-9-18-42-46(45)50(58)56(49(42)57)44-21-20-35(33-10-3-1-4-11-33)24-43(44)34-12-5-2-6-13-34/h1-24,27-30H
InChIKeyRIQSOEZUPIRRFJ-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-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile
CID 134235000
acetonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile
CID 142280776
3-[8-(3-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234537
4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234272
4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234366
4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane
CID 142280762
4-[1,8-bis(5-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione
CID 158339135
3-[8-(3-cyano-5-isocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]-5-isocyanobenzonitrile
CID 157139884
4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234505
5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine
CID 142280805
5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
CID 134241091
2-(2,4-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234617

Frequently Asked Questions

What is the IUPAC name of 5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile (CID 134241118) is 5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc3c4cccc(-c5cncc(C#N)c5)c4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c1.
What is the InChIKey of 5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is RIQSOEZUPIRRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6O2/c51-25-31-22-36(29-53-27-31)38-14-7-16-40-41-17-8-15-39(37-23-32(26-52)28-54-30-37)48(41)55(47(38)40)45-19-9-18-42-46(45)50(58)56(49(42)57)44-21-20-35(33-10-3-1-4-11-33)24-43(44)34-12-5-2-6-13-34/h1-24,27-30H.
What are the key properties of 5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile?
5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-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-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134241118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).