10-azidodecyl-bromo-triphenyl-lambda5-phosphane

C28H35BrN3P — CID 14846945

IUPAC10-azidodecyl-bromo-triphenyl-lambda5-phosphane
SMILES[N-]=[N+]=NCCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35BrN3P/c29-33(26-18-10-7-11-19-26,27-20-12-8-13-21-27,28-22-14-9-15-23-28)25-17-6-4-2-1-3-5-16-24-31-32-30/h7-15,18-23H,1-6,16-17,24-25H2
InChIKeyXREGNCMESVDYIA-UHFFFAOYSA-N
MW524.49 g/mol
LogP8.26
Rot. Bonds14

About 10-azidodecyl-bromo-triphenyl-lambda5-phosphane

10-azidodecyl-bromo-triphenyl-lambda5-phosphane (PubChem CID 14846945) has the molecular formula C28H35BrN3P and a molecular weight of 524.49 g/mol. Its IUPAC name is 10-azidodecyl-bromo-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Name10-azidodecyl-bromo-triphenyl-lambda5-phosphane
PubChem CID14846945
Molecular FormulaC28H35BrN3P
Molecular Weight524.49 g/mol
Exact Mass523.18
IUPAC Name10-azidodecyl-bromo-triphenyl-lambda5-phosphane
SMILES[N-]=[N+]=NCCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35BrN3P/c29-33(26-18-10-7-11-19-26,27-20-12-8-13-21-27,28-22-14-9-15-23-28)25-17-6-4-2-1-3-5-16-24-31-32-30/h7-15,18-23H,1-6,16-17,24-25H2
InChIKeyXREGNCMESVDYIA-UHFFFAOYSA-N
XLogP8.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.49
LogP ≤ 58.26
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 10-azidodecyl-bromo-triphenyl-lambda5-phosphane?
The IUPAC name of 10-azidodecyl-bromo-triphenyl-lambda5-phosphane (CID 14846945) is 10-azidodecyl-bromo-triphenyl-lambda5-phosphane.
What is the SMILES notation for 10-azidodecyl-bromo-triphenyl-lambda5-phosphane?
The canonical SMILES for 10-azidodecyl-bromo-triphenyl-lambda5-phosphane is [N-]=[N+]=NCCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-azidodecyl-bromo-triphenyl-lambda5-phosphane?
The InChIKey is XREGNCMESVDYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35BrN3P/c29-33(26-18-10-7-11-19-26,27-20-12-8-13-21-27,28-22-14-9-15-23-28)25-17-6-4-2-1-3-5-16-24-31-32-30/h7-15,18-23H,1-6,16-17,24-25H2.
What are the key properties of 10-azidodecyl-bromo-triphenyl-lambda5-phosphane?
10-azidodecyl-bromo-triphenyl-lambda5-phosphane has a molecular weight of 524.49 g/mol, XLogP of 8.26, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azidodecyl-bromo-triphenyl-lambda5-phosphane is sourced from PubChem (CID 14846945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).