1-hydroxy-6-nitro-2,3-diphenylindole

C20H14N2O3 — CID 44530842

IUPAC1-hydroxy-6-nitro-2,3-diphenylindole
SMILESO=[N+]([O-])c1ccc2c(-c3ccccc3)c(-c3ccccc3)n(O)c2c1
InChIInChI=1S/C20H14N2O3/c23-21-18-13-16(22(24)25)11-12-17(18)19(14-7-3-1-4-8-14)20(21)15-9-5-2-6-10-15/h1-13,23H
InChIKeyAUSPIJBFFRDETJ-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.12
Rot. Bonds3

About 1-hydroxy-6-nitro-2,3-diphenylindole

1-hydroxy-6-nitro-2,3-diphenylindole (PubChem CID 44530842) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-hydroxy-6-nitro-2,3-diphenylindole.

Molecular Properties

Compound Name1-hydroxy-6-nitro-2,3-diphenylindole
PubChem CID44530842
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name1-hydroxy-6-nitro-2,3-diphenylindole
SMILESO=[N+]([O-])c1ccc2c(-c3ccccc3)c(-c3ccccc3)n(O)c2c1
InChIInChI=1S/C20H14N2O3/c23-21-18-13-16(22(24)25)11-12-17(18)19(14-7-3-1-4-8-14)20(21)15-9-5-2-6-10-15/h1-13,23H
InChIKeyAUSPIJBFFRDETJ-UHFFFAOYSA-N
XLogP5.12
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'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 1-hydroxy-6-nitro-2,3-diphenylindole?
The IUPAC name of 1-hydroxy-6-nitro-2,3-diphenylindole (CID 44530842) is 1-hydroxy-6-nitro-2,3-diphenylindole.
What is the SMILES notation for 1-hydroxy-6-nitro-2,3-diphenylindole?
The canonical SMILES for 1-hydroxy-6-nitro-2,3-diphenylindole is O=[N+]([O-])c1ccc2c(-c3ccccc3)c(-c3ccccc3)n(O)c2c1.
What is the InChIKey of 1-hydroxy-6-nitro-2,3-diphenylindole?
The InChIKey is AUSPIJBFFRDETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-21-18-13-16(22(24)25)11-12-17(18)19(14-7-3-1-4-8-14)20(21)15-9-5-2-6-10-15/h1-13,23H.
What are the key properties of 1-hydroxy-6-nitro-2,3-diphenylindole?
1-hydroxy-6-nitro-2,3-diphenylindole has a molecular weight of 330.34 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-nitro-2,3-diphenylindole is sourced from PubChem (CID 44530842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).