tris(furan-2-yl)-selanylidene-λ5-phosphane

C12H9O3PSe — CID 23271194

IUPACtris(furan-2-yl)-selanylidene-λ5-phosphane
SMILES[Se]=P(c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C12H9O3PSe/c17-16(10-4-1-7-13-10,11-5-2-8-14-11)12-6-3-9-15-12/h1-9H
InChIKeyWEZSWRVQNUBBKW-UHFFFAOYSA-N
MW311.13 g/mol
LogP1.84
Rot. Bonds3

About tris(furan-2-yl)-selanylidene-λ5-phosphane

tris(furan-2-yl)-selanylidene-λ5-phosphane (PubChem CID 23271194) has the molecular formula C12H9O3PSe and a molecular weight of 311.13 g/mol. Its IUPAC name is tris(furan-2-yl)-selanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(furan-2-yl)-selanylidene-λ5-phosphane
PubChem CID23271194
Molecular FormulaC12H9O3PSe
Molecular Weight311.13 g/mol
Exact Mass311.95
IUPAC Nametris(furan-2-yl)-selanylidene-λ5-phosphane
SMILES[Se]=P(c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C12H9O3PSe/c17-16(10-4-1-7-13-10,11-5-2-8-14-11)12-6-3-9-15-12/h1-9H
InChIKeyWEZSWRVQNUBBKW-UHFFFAOYSA-N
XLogP1.84
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(furan-2-yl)-selanylidene-λ5-phosphane?
The IUPAC name of tris(furan-2-yl)-selanylidene-λ5-phosphane (CID 23271194) is tris(furan-2-yl)-selanylidene-λ5-phosphane.
What is the SMILES notation for tris(furan-2-yl)-selanylidene-λ5-phosphane?
The canonical SMILES for tris(furan-2-yl)-selanylidene-λ5-phosphane is [Se]=P(c1ccco1)(c1ccco1)c1ccco1.
What is the InChIKey of tris(furan-2-yl)-selanylidene-λ5-phosphane?
The InChIKey is WEZSWRVQNUBBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O3PSe/c17-16(10-4-1-7-13-10,11-5-2-8-14-11)12-6-3-9-15-12/h1-9H.
What are the key properties of tris(furan-2-yl)-selanylidene-λ5-phosphane?
tris(furan-2-yl)-selanylidene-λ5-phosphane has a molecular weight of 311.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(furan-2-yl)-selanylidene-λ5-phosphane is sourced from PubChem (CID 23271194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).