1-diphenylphosphorylindole

C20H16NOP — CID 10663281

IUPAC1-diphenylphosphorylindole
SMILESO=P(c1ccccc1)(c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C20H16NOP/c22-23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)21/h1-16H
InChIKeyNERQDRWWCMDTEU-UHFFFAOYSA-N
MW317.33 g/mol
LogP4.42
Rot. Bonds3

About 1-diphenylphosphorylindole

1-diphenylphosphorylindole (PubChem CID 10663281) has the molecular formula C20H16NOP and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-diphenylphosphorylindole.

Molecular Properties

Compound Name1-diphenylphosphorylindole
PubChem CID10663281
Molecular FormulaC20H16NOP
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC Name1-diphenylphosphorylindole
SMILESO=P(c1ccccc1)(c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C20H16NOP/c22-23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)21/h1-16H
InChIKeyNERQDRWWCMDTEU-UHFFFAOYSA-N
XLogP4.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphorylindole?
The IUPAC name of 1-diphenylphosphorylindole (CID 10663281) is 1-diphenylphosphorylindole.
What is the SMILES notation for 1-diphenylphosphorylindole?
The canonical SMILES for 1-diphenylphosphorylindole is O=P(c1ccccc1)(c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of 1-diphenylphosphorylindole?
The InChIKey is NERQDRWWCMDTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NOP/c22-23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)21/h1-16H.
What are the key properties of 1-diphenylphosphorylindole?
1-diphenylphosphorylindole has a molecular weight of 317.33 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylindole is sourced from PubChem (CID 10663281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).