2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione

C35H24N2O2 — CID 158538200

About 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione

2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione (PubChem CID 158538200) has the molecular formula C35H24N2O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione
• PubChem CID: 158538200
• Molecular Formula: C35H24N2O2
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.18
• IUPAC Name: 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccccc4N4C(=O)c5ccccc5C4=O)c3cc21
• InChI: InChI=1S/C35H24N2O2/c1-35(2)27-15-7-5-11-21(27)25-19-26-22-12-6-8-16-29(22)36(32(26)20-28(25)35)30-17-9-10-18-31(30)37-33(38)23-13-3-4-14-24(23)34(37)39/h3-20H,1-2H3
• InChIKey: HOEUZHFJEQCVOM-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione?

The IUPAC name of 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione (CID 158538200) is 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione?

The canonical SMILES for 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccccc4N4C(=O)c5ccccc5C4=O)c3cc21.

What is the InChIKey of 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione?

The InChIKey is HOEUZHFJEQCVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2O2/c1-35(2)27-15-7-5-11-21(27)25-19-26-22-12-6-8-16-29(22)36(32(26)20-28(25)35)30-17-9-10-18-31(30)37-33(38)23-13-3-4-14-24(23)34(37)39/h3-20H,1-2H3.

What are the key properties of 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione?

2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione has a molecular weight of 504.59 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 158538200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).