tris(1H-imidazol-2-yl)phosphane

C9H9N6P — CID 12657118

IUPACtris(1H-imidazol-2-yl)phosphane
SMILESc1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1
InChIInChI=1S/C9H9N6P/c1-2-11-7(10-1)16(8-12-3-4-13-8)9-14-5-6-15-9/h1-6H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyLCORTBULURHQHJ-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.39
Rot. Bonds3

About tris(1H-imidazol-2-yl)phosphane

tris(1H-imidazol-2-yl)phosphane (PubChem CID 12657118) has the molecular formula C9H9N6P and a molecular weight of 232.19 g/mol. Its IUPAC name is tris(1H-imidazol-2-yl)phosphane.

Molecular Properties

Compound Nametris(1H-imidazol-2-yl)phosphane
PubChem CID12657118
Molecular FormulaC9H9N6P
Molecular Weight232.19 g/mol
Exact Mass232.06
IUPAC Nametris(1H-imidazol-2-yl)phosphane
SMILESc1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1
InChIInChI=1S/C9H9N6P/c1-2-11-7(10-1)16(8-12-3-4-13-8)9-14-5-6-15-9/h1-6H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyLCORTBULURHQHJ-UHFFFAOYSA-N
XLogP-0.39
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(1H-imidazol-2-yl)phosphane?
The IUPAC name of tris(1H-imidazol-2-yl)phosphane (CID 12657118) is tris(1H-imidazol-2-yl)phosphane.
What is the SMILES notation for tris(1H-imidazol-2-yl)phosphane?
The canonical SMILES for tris(1H-imidazol-2-yl)phosphane is c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1.
What is the InChIKey of tris(1H-imidazol-2-yl)phosphane?
The InChIKey is LCORTBULURHQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N6P/c1-2-11-7(10-1)16(8-12-3-4-13-8)9-14-5-6-15-9/h1-6H,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of tris(1H-imidazol-2-yl)phosphane?
tris(1H-imidazol-2-yl)phosphane has a molecular weight of 232.19 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1H-imidazol-2-yl)phosphane is sourced from PubChem (CID 12657118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).