2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C31H20N2O5 — CID 1097516

IUPAC2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(C)c4)C5=O)cc3C2=O)c1
InChIInChI=1S/C31H20N2O5/c1-17-5-3-7-21(13-17)32-28(35)23-11-9-19(15-25(23)30(32)37)27(34)20-10-12-24-26(16-20)31(38)33(29(24)36)22-8-4-6-18(2)14-22/h3-16H,1-2H3
InChIKeyDROJVVVYMOYGRW-UHFFFAOYSA-N
MW500.51 g/mol
LogP5.14
Rot. Bonds4

About 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 1097516) has the molecular formula C31H20N2O5 and a molecular weight of 500.51 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID1097516
Molecular FormulaC31H20N2O5
Molecular Weight500.51 g/mol
Exact Mass500.14
IUPAC Name2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(C)c4)C5=O)cc3C2=O)c1
InChIInChI=1S/C31H20N2O5/c1-17-5-3-7-21(13-17)32-28(35)23-11-9-19(15-25(23)30(32)37)27(34)20-10-12-24-26(16-20)31(38)33(29(24)36)22-8-4-6-18(2)14-22/h3-16H,1-2H3
InChIKeyDROJVVVYMOYGRW-UHFFFAOYSA-N
XLogP5.14
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 1097516) is 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(C)c4)C5=O)cc3C2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is DROJVVVYMOYGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O5/c1-17-5-3-7-21(13-17)32-28(35)23-11-9-19(15-25(23)30(32)37)27(34)20-10-12-24-26(16-20)31(38)33(29(24)36)22-8-4-6-18(2)14-22/h3-16H,1-2H3.
What are the key properties of 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 500.51 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 1097516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).