2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione

C48H30N4O2 — CID 134241101

IUPAC2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccncc5)ccc4c4ccc(-c5ccncc5)cc43)c2C(=O)N1c1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C48H30N4O2/c53-47-41-12-7-13-42(46(41)48(54)52(47)43-28-35(31-8-3-1-4-9-31)14-17-38(43)34-10-5-2-6-11-34)51-44-29-36(32-20-24-49-25-21-32)15-18-39(44)40-19-16-37(30-45(40)51)33-22-26-50-27-23-33/h1-30H
InChIKeyJPVKVIULXLFSFG-UHFFFAOYSA-N
MW694.79 g/mol
LogP11.04
Rot. Bonds6

About 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione

2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione (PubChem CID 134241101) has the molecular formula C48H30N4O2 and a molecular weight of 694.79 g/mol. Its IUPAC name is 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
PubChem CID134241101
Molecular FormulaC48H30N4O2
Molecular Weight694.79 g/mol
Exact Mass694.24
IUPAC Name2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccncc5)ccc4c4ccc(-c5ccncc5)cc43)c2C(=O)N1c1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C48H30N4O2/c53-47-41-12-7-13-42(46(41)48(54)52(47)43-28-35(31-8-3-1-4-9-31)14-17-38(43)34-10-5-2-6-11-34)51-44-29-36(32-20-24-49-25-21-32)15-18-39(44)40-19-16-37(30-45(40)51)33-22-26-50-27-23-33/h1-30H
InChIKeyJPVKVIULXLFSFG-UHFFFAOYSA-N
XLogP11.04
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.79
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,8-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(3-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 161343523
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
3-[7-(3-cyanophenyl)-9-[2-(2,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzonitrile
CID 134241214
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472
4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione
CID 134235015
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 159890371
2-(2,3-diphenylphenyl)-4-(1,8-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(3,5-diphenylphenyl)-4-(3,6-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 160733873
4-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 142280807
5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile
CID 134235000
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
CID 142280587
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134240962

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione (CID 134241101) is 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione is O=C1c2cccc(-n3c4cc(-c5ccncc5)ccc4c4ccc(-c5ccncc5)cc43)c2C(=O)N1c1cc(-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione?
The InChIKey is JPVKVIULXLFSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O2/c53-47-41-12-7-13-42(46(41)48(54)52(47)43-28-35(31-8-3-1-4-9-31)14-17-38(43)34-10-5-2-6-11-34)51-44-29-36(32-20-24-49-25-21-32)15-18-39(44)40-19-16-37(30-45(40)51)33-22-26-50-27-23-33/h1-30H.
What are the key properties of 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione?
2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione has a molecular weight of 694.79 g/mol, XLogP of 11.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione is sourced from PubChem (CID 134241101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).