1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione

C31H22N2O4 — CID 3821945

IUPAC1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc54)cc3)cc2)c2ccccc21
InChIInChI=1S/C31H22N2O4/c34-28-24-5-1-3-7-26(24)32(30(28)36)18-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)19-33-27-8-4-2-6-25(27)29(35)31(33)37/h1-16H,17-19H2
InChIKeyOGTUYARYUMRJAT-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.74
Rot. Bonds6

About 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione

1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione (PubChem CID 3821945) has the molecular formula C31H22N2O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione
PubChem CID3821945
Molecular FormulaC31H22N2O4
Molecular Weight486.53 g/mol
Exact Mass486.16
IUPAC Name1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc54)cc3)cc2)c2ccccc21
InChIInChI=1S/C31H22N2O4/c34-28-24-5-1-3-7-26(24)32(30(28)36)18-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)19-33-27-8-4-2-6-25(27)29(35)31(33)37/h1-16H,17-19H2
InChIKeyOGTUYARYUMRJAT-UHFFFAOYSA-N
XLogP4.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione?
The IUPAC name of 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione (CID 3821945) is 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione.
What is the SMILES notation for 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione?
The canonical SMILES for 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc54)cc3)cc2)c2ccccc21.
What is the InChIKey of 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione?
The InChIKey is OGTUYARYUMRJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O4/c34-28-24-5-1-3-7-26(24)32(30(28)36)18-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)19-33-27-8-4-2-6-25(27)29(35)31(33)37/h1-16H,17-19H2.
What are the key properties of 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione?
1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione has a molecular weight of 486.53 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]phenyl]methyl]indole-2,3-dione is sourced from PubChem (CID 3821945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).