5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione

C29H23NO3 — CID 52948679

IUPAC5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCc1ccccc1COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H23NO3/c1-20-7-5-6-10-24(20)19-33-25-15-16-27-26(17-25)28(31)29(32)30(27)18-21-11-13-23(14-12-21)22-8-3-2-4-9-22/h2-17H,18-19H2,1H3
InChIKeyZWSGEPOOZIGUJW-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.97
Rot. Bonds6

About 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione

5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione (PubChem CID 52948679) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
PubChem CID52948679
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Name5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCc1ccccc1COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H23NO3/c1-20-7-5-6-10-24(20)19-33-25-15-16-27-26(17-25)28(31)29(32)30(27)18-21-11-13-23(14-12-21)22-8-3-2-4-9-22/h2-17H,18-19H2,1H3
InChIKeyZWSGEPOOZIGUJW-UHFFFAOYSA-N
XLogP5.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione (CID 52948679) is 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione is Cc1ccccc1COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The InChIKey is ZWSGEPOOZIGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c1-20-7-5-6-10-24(20)19-33-25-15-16-27-26(17-25)28(31)29(32)30(27)18-21-11-13-23(14-12-21)22-8-3-2-4-9-22/h2-17H,18-19H2,1H3.
What are the key properties of 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione has a molecular weight of 433.51 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 52948679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).