sodium;triphenylphosphane;azide

C18H15N3NaP — CID 158310929

IUPACsodium;triphenylphosphane;azide
SMILES[N-]=[N+]=[N-].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.N3.Na/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;/h1-15H;;/q;-1;+1
InChIKeyDNPLLEGVERQXRB-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.31
Rot. Bonds3

About sodium;triphenylphosphane;azide

sodium;triphenylphosphane;azide (PubChem CID 158310929) has the molecular formula C18H15N3NaP and a molecular weight of 327.30 g/mol. Its IUPAC name is sodium;triphenylphosphane;azide.

Molecular Properties

Compound Namesodium;triphenylphosphane;azide
PubChem CID158310929
Molecular FormulaC18H15N3NaP
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Namesodium;triphenylphosphane;azide
SMILES[N-]=[N+]=[N-].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.N3.Na/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;/h1-15H;;/q;-1;+1
InChIKeyDNPLLEGVERQXRB-UHFFFAOYSA-N
XLogP1.31
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

triphenylphosphane
CID 139056248
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of sodium;triphenylphosphane;azide?
The IUPAC name of sodium;triphenylphosphane;azide (CID 158310929) is sodium;triphenylphosphane;azide.
What is the SMILES notation for sodium;triphenylphosphane;azide?
The canonical SMILES for sodium;triphenylphosphane;azide is [N-]=[N+]=[N-].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;triphenylphosphane;azide?
The InChIKey is DNPLLEGVERQXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.N3.Na/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;/h1-15H;;/q;-1;+1.
What are the key properties of sodium;triphenylphosphane;azide?
sodium;triphenylphosphane;azide has a molecular weight of 327.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;triphenylphosphane;azide is sourced from PubChem (CID 158310929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).