3-azidopropylidene(triphenyl)-lambda5-phosphane

C21H20N3P — CID 15140975

IUPAC3-azidopropylidene(triphenyl)-lambda5-phosphane
SMILES[N-]=[N+]=NCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N3P/c22-24-23-17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,18H,10,17H2
InChIKeyRBUKHFJYRCGVOH-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.48
Rot. Bonds6

About 3-azidopropylidene(triphenyl)-lambda5-phosphane

3-azidopropylidene(triphenyl)-lambda5-phosphane (PubChem CID 15140975) has the molecular formula C21H20N3P and a molecular weight of 345.39 g/mol. Its IUPAC name is 3-azidopropylidene(triphenyl)-lambda5-phosphane.

Molecular Properties

Compound Name3-azidopropylidene(triphenyl)-lambda5-phosphane
PubChem CID15140975
Molecular FormulaC21H20N3P
Molecular Weight345.39 g/mol
Exact Mass345.14
IUPAC Name3-azidopropylidene(triphenyl)-lambda5-phosphane
SMILES[N-]=[N+]=NCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N3P/c22-24-23-17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,18H,10,17H2
InChIKeyRBUKHFJYRCGVOH-UHFFFAOYSA-N
XLogP4.48
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azidopropylidene(triphenyl)-lambda5-phosphane?
The IUPAC name of 3-azidopropylidene(triphenyl)-lambda5-phosphane (CID 15140975) is 3-azidopropylidene(triphenyl)-lambda5-phosphane.
What is the SMILES notation for 3-azidopropylidene(triphenyl)-lambda5-phosphane?
The canonical SMILES for 3-azidopropylidene(triphenyl)-lambda5-phosphane is [N-]=[N+]=NCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-azidopropylidene(triphenyl)-lambda5-phosphane?
The InChIKey is RBUKHFJYRCGVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N3P/c22-24-23-17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,18H,10,17H2.
What are the key properties of 3-azidopropylidene(triphenyl)-lambda5-phosphane?
3-azidopropylidene(triphenyl)-lambda5-phosphane has a molecular weight of 345.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopropylidene(triphenyl)-lambda5-phosphane is sourced from PubChem (CID 15140975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).