1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione

C24H13N3O5 — CID 140991595

IUPAC1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione
SMILESO=C1C(=O)N(N2C(=O)C(=O)c3c(N4C(=O)Cc5ccccc54)cccc32)c2ccccc21
InChIInChI=1S/C24H13N3O5/c28-19-12-13-6-1-3-8-15(13)25(19)17-10-5-11-18-20(17)22(30)24(32)27(18)26-16-9-4-2-7-14(16)21(29)23(26)31/h1-11H,12H2
InChIKeyDYIMKDWWONADHP-UHFFFAOYSA-N
MW423.38 g/mol
LogP2.58
Rot. Bonds2

About 1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione

1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione (PubChem CID 140991595) has the molecular formula C24H13N3O5 and a molecular weight of 423.38 g/mol. Its IUPAC name is 1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione.

Molecular Properties

Compound Name1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione
PubChem CID140991595
Molecular FormulaC24H13N3O5
Molecular Weight423.38 g/mol
Exact Mass423.09
IUPAC Name1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione
SMILESO=C1C(=O)N(N2C(=O)C(=O)c3c(N4C(=O)Cc5ccccc54)cccc32)c2ccccc21
InChIInChI=1S/C24H13N3O5/c28-19-12-13-6-1-3-8-15(13)25(19)17-10-5-11-18-20(17)22(30)24(32)27(18)26-16-9-4-2-7-14(16)21(29)23(26)31/h1-11H,12H2
InChIKeyDYIMKDWWONADHP-UHFFFAOYSA-N
XLogP2.58
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione?
The IUPAC name of 1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione (CID 140991595) is 1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione.
What is the SMILES notation for 1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione?
The canonical SMILES for 1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione is O=C1C(=O)N(N2C(=O)C(=O)c3c(N4C(=O)Cc5ccccc54)cccc32)c2ccccc21.
What is the InChIKey of 1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione?
The InChIKey is DYIMKDWWONADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13N3O5/c28-19-12-13-6-1-3-8-15(13)25(19)17-10-5-11-18-20(17)22(30)24(32)27(18)26-16-9-4-2-7-14(16)21(29)23(26)31/h1-11H,12H2.
What are the key properties of 1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione?
1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione has a molecular weight of 423.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione is sourced from PubChem (CID 140991595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).