2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one

C22H15N3O3 — CID 146171521

IUPAC2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C22H15N3O3/c26-21-17-8-4-5-9-19(17)24-22(21,14-6-2-1-3-7-14)18-13-23-20-12-15(25(27)28)10-11-16(18)20/h1-13,23-24H
InChIKeyXTALWKVVIBUCRR-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.63
Rot. Bonds3

About 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one

2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one (PubChem CID 146171521) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one.

Molecular Properties

Compound Name2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one
PubChem CID146171521
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C22H15N3O3/c26-21-17-8-4-5-9-19(17)24-22(21,14-6-2-1-3-7-14)18-13-23-20-12-15(25(27)28)10-11-16(18)20/h1-13,23-24H
InChIKeyXTALWKVVIBUCRR-UHFFFAOYSA-N
XLogP4.63
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
The IUPAC name of 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one (CID 146171521) is 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one.
What is the SMILES notation for 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
The canonical SMILES for 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one is O=C1c2ccccc2NC1(c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
The InChIKey is XTALWKVVIBUCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c26-21-17-8-4-5-9-19(17)24-22(21,14-6-2-1-3-7-14)18-13-23-20-12-15(25(27)28)10-11-16(18)20/h1-13,23-24H.
What are the key properties of 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one?
2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one has a molecular weight of 369.38 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitro-1H-indol-3-yl)-2-phenyl-1H-indol-3-one is sourced from PubChem (CID 146171521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).