10-azidodecyl(triphenyl)phosphanium

C28H35N3P+ — CID 71498713

IUPAC10-azidodecyl(triphenyl)phosphanium
SMILES[N-]=[N+]=NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35N3P/c29-31-30-24-16-5-3-1-2-4-6-17-25-32(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2/q+1
InChIKeyKRMCMBUJECYCIN-UHFFFAOYSA-N
MW444.58 g/mol
LogP7.41
Rot. Bonds14

About 10-azidodecyl(triphenyl)phosphanium

10-azidodecyl(triphenyl)phosphanium (PubChem CID 71498713) has the molecular formula C28H35N3P+ and a molecular weight of 444.58 g/mol. Its IUPAC name is 10-azidodecyl(triphenyl)phosphanium.

Molecular Properties

Compound Name10-azidodecyl(triphenyl)phosphanium
PubChem CID71498713
Molecular FormulaC28H35N3P+
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name10-azidodecyl(triphenyl)phosphanium
SMILES[N-]=[N+]=NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35N3P/c29-31-30-24-16-5-3-1-2-4-6-17-25-32(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2/q+1
InChIKeyKRMCMBUJECYCIN-UHFFFAOYSA-N
XLogP7.41
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 57.41
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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Related Compounds

CID 118889198
CID 118889198
CID 204282
CID 204282
CID 57655097
CID 57655097
CID 14963711
CID 14963711
CID 53362697
CID 53362697
CID 129777505
CID 129777505
CID 44382020
CID 44382020
CID 15140975
CID 15140975
CID 129766492
CID 129766492
CID 134884290
CID 134884290
CID 178326547
CID 178326547
CID 3716115
CID 3716115

Frequently Asked Questions

What is the IUPAC name of 10-azidodecyl(triphenyl)phosphanium?
The IUPAC name of 10-azidodecyl(triphenyl)phosphanium (CID 71498713) is 10-azidodecyl(triphenyl)phosphanium.
What is the SMILES notation for 10-azidodecyl(triphenyl)phosphanium?
The canonical SMILES for 10-azidodecyl(triphenyl)phosphanium is [N-]=[N+]=NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-azidodecyl(triphenyl)phosphanium?
The InChIKey is KRMCMBUJECYCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3P/c29-31-30-24-16-5-3-1-2-4-6-17-25-32(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2/q+1.
What are the key properties of 10-azidodecyl(triphenyl)phosphanium?
10-azidodecyl(triphenyl)phosphanium has a molecular weight of 444.58 g/mol, XLogP of 7.41, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azidodecyl(triphenyl)phosphanium is sourced from PubChem (CID 71498713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).