4-diphenylphosphanylbenzene-1,2-diamine

C18H17N2P — CID 170557408

IUPAC4-diphenylphosphanylbenzene-1,2-diamine
SMILESNc1ccc(P(c2ccccc2)c2ccccc2)cc1N
InChIInChI=1S/C18H17N2P/c19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,19-20H2
InChIKeyJMXJHJPEWYKWKU-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.61
Rot. Bonds3

About 4-diphenylphosphanylbenzene-1,2-diamine

4-diphenylphosphanylbenzene-1,2-diamine (PubChem CID 170557408) has the molecular formula C18H17N2P and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-diphenylphosphanylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-diphenylphosphanylbenzene-1,2-diamine
PubChem CID170557408
Molecular FormulaC18H17N2P
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name4-diphenylphosphanylbenzene-1,2-diamine
SMILESNc1ccc(P(c2ccccc2)c2ccccc2)cc1N
InChIInChI=1S/C18H17N2P/c19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,19-20H2
InChIKeyJMXJHJPEWYKWKU-UHFFFAOYSA-N
XLogP2.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphanylbenzene-1,2-diamine?
The IUPAC name of 4-diphenylphosphanylbenzene-1,2-diamine (CID 170557408) is 4-diphenylphosphanylbenzene-1,2-diamine.
What is the SMILES notation for 4-diphenylphosphanylbenzene-1,2-diamine?
The canonical SMILES for 4-diphenylphosphanylbenzene-1,2-diamine is Nc1ccc(P(c2ccccc2)c2ccccc2)cc1N.
What is the InChIKey of 4-diphenylphosphanylbenzene-1,2-diamine?
The InChIKey is JMXJHJPEWYKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2P/c19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,19-20H2.
What are the key properties of 4-diphenylphosphanylbenzene-1,2-diamine?
4-diphenylphosphanylbenzene-1,2-diamine has a molecular weight of 292.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphanylbenzene-1,2-diamine is sourced from PubChem (CID 170557408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).