5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione

C41H24N2O5 — CID 2832552

IUPAC5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O
InChIInChI=1S/C41H24N2O5/c44-37(27-19-21-31-33(23-27)40(47)42(38(31)45)35-17-9-7-15-29(35)25-11-3-1-4-12-25)28-20-22-32-34(24-28)41(48)43(39(32)46)36-18-10-8-16-30(36)26-13-5-2-6-14-26/h1-24H
InChIKeyJUFBGBIJBVAFRE-UHFFFAOYSA-N
MW624.65 g/mol
LogP7.85
Rot. Bonds6

About 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione

5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione (PubChem CID 2832552) has the molecular formula C41H24N2O5 and a molecular weight of 624.65 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione
PubChem CID2832552
Molecular FormulaC41H24N2O5
Molecular Weight624.65 g/mol
Exact Mass624.17
IUPAC Name5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O
InChIInChI=1S/C41H24N2O5/c44-37(27-19-21-31-33(23-27)40(47)42(38(31)45)35-17-9-7-15-29(35)25-11-3-1-4-12-25)28-20-22-32-34(24-28)41(48)43(39(32)46)36-18-10-8-16-30(36)26-13-5-2-6-14-26/h1-24H
InChIKeyJUFBGBIJBVAFRE-UHFFFAOYSA-N
XLogP7.85
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.65
LogP ≤ 57.85
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 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione (CID 2832552) is 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione is O=C(c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O.
What is the InChIKey of 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The InChIKey is JUFBGBIJBVAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O5/c44-37(27-19-21-31-33(23-27)40(47)42(38(31)45)35-17-9-7-15-29(35)25-11-3-1-4-12-25)28-20-22-32-34(24-28)41(48)43(39(32)46)36-18-10-8-16-30(36)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione?
5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione has a molecular weight of 624.65 g/mol, XLogP of 7.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]-2-(2-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 2832552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).