1-azido-10-bromodecane;triphenylphosphane

C28H35BrN3P — CID 134561974

IUPAC1-azido-10-bromodecane;triphenylphosphane
SMILES[N-]=[N+]=NCCCCCCCCCCBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C10H20BrN3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9-7-5-3-1-2-4-6-8-10-13-14-12/h1-15H;1-10H2
InChIKeyHHRWGVMITTUETP-UHFFFAOYSA-N
MW524.49 g/mol
LogP8.26
Rot. Bonds13

About 1-azido-10-bromodecane;triphenylphosphane

1-azido-10-bromodecane;triphenylphosphane (PubChem CID 134561974) has the molecular formula C28H35BrN3P and a molecular weight of 524.49 g/mol. Its IUPAC name is 1-azido-10-bromodecane;triphenylphosphane.

Molecular Properties

Compound Name1-azido-10-bromodecane;triphenylphosphane
PubChem CID134561974
Molecular FormulaC28H35BrN3P
Molecular Weight524.49 g/mol
Exact Mass523.18
IUPAC Name1-azido-10-bromodecane;triphenylphosphane
SMILES[N-]=[N+]=NCCCCCCCCCCBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C10H20BrN3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9-7-5-3-1-2-4-6-8-10-13-14-12/h1-15H;1-10H2
InChIKeyHHRWGVMITTUETP-UHFFFAOYSA-N
XLogP8.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 87481966
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sodium;triphenylphosphane;azide
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triphenylphosphane
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1-(6-azidohexoxy)-4-[(E)-2-[4-(6-azidohexoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 102424524
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8-bromooctyl(triphenyl)phosphanium
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Frequently Asked Questions

What is the IUPAC name of 1-azido-10-bromodecane;triphenylphosphane?
The IUPAC name of 1-azido-10-bromodecane;triphenylphosphane (CID 134561974) is 1-azido-10-bromodecane;triphenylphosphane.
What is the SMILES notation for 1-azido-10-bromodecane;triphenylphosphane?
The canonical SMILES for 1-azido-10-bromodecane;triphenylphosphane is [N-]=[N+]=NCCCCCCCCCCBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-azido-10-bromodecane;triphenylphosphane?
The InChIKey is HHRWGVMITTUETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C10H20BrN3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9-7-5-3-1-2-4-6-8-10-13-14-12/h1-15H;1-10H2.
What are the key properties of 1-azido-10-bromodecane;triphenylphosphane?
1-azido-10-bromodecane;triphenylphosphane has a molecular weight of 524.49 g/mol, XLogP of 8.26, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-10-bromodecane;triphenylphosphane is sourced from PubChem (CID 134561974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).