3-azidopropyl-bromo-triphenyl-lambda5-phosphane

C21H21BrN3P — CID 14963711

IUPAC3-azidopropyl-bromo-triphenyl-lambda5-phosphane
SMILES[N-]=[N+]=NCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21BrN3P/c22-26(18-10-17-24-25-23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyLZNSNVLIPNBKKJ-UHFFFAOYSA-N
MW426.30 g/mol
LogP5.53
Rot. Bonds7

About 3-azidopropyl-bromo-triphenyl-lambda5-phosphane

3-azidopropyl-bromo-triphenyl-lambda5-phosphane (PubChem CID 14963711) has the molecular formula C21H21BrN3P and a molecular weight of 426.30 g/mol. Its IUPAC name is 3-azidopropyl-bromo-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Name3-azidopropyl-bromo-triphenyl-lambda5-phosphane
PubChem CID14963711
Molecular FormulaC21H21BrN3P
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC Name3-azidopropyl-bromo-triphenyl-lambda5-phosphane
SMILES[N-]=[N+]=NCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21BrN3P/c22-26(18-10-17-24-25-23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyLZNSNVLIPNBKKJ-UHFFFAOYSA-N
XLogP5.53
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 55.53
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-azidopropyl-bromo-triphenyl-lambda5-phosphane?
The IUPAC name of 3-azidopropyl-bromo-triphenyl-lambda5-phosphane (CID 14963711) is 3-azidopropyl-bromo-triphenyl-lambda5-phosphane.
What is the SMILES notation for 3-azidopropyl-bromo-triphenyl-lambda5-phosphane?
The canonical SMILES for 3-azidopropyl-bromo-triphenyl-lambda5-phosphane is [N-]=[N+]=NCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-azidopropyl-bromo-triphenyl-lambda5-phosphane?
The InChIKey is LZNSNVLIPNBKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN3P/c22-26(18-10-17-24-25-23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2.
What are the key properties of 3-azidopropyl-bromo-triphenyl-lambda5-phosphane?
3-azidopropyl-bromo-triphenyl-lambda5-phosphane has a molecular weight of 426.30 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopropyl-bromo-triphenyl-lambda5-phosphane is sourced from PubChem (CID 14963711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).