triphenylphosphane;tris(furan-2-yl)phosphane

C30H24O3P2 — CID 87666733

IUPACtriphenylphosphane;tris(furan-2-yl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1coc(P(c2ccco2)c2ccco2)c1
InChIInChI=1S/C18H15P.C12H9O3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-15H;1-9H
InChIKeyRFEZDYGEPFPGHZ-UHFFFAOYSA-N
MW494.47 g/mol
LogP5.67
Rot. Bonds6

About triphenylphosphane;tris(furan-2-yl)phosphane

triphenylphosphane;tris(furan-2-yl)phosphane (PubChem CID 87666733) has the molecular formula C30H24O3P2 and a molecular weight of 494.47 g/mol. Its IUPAC name is triphenylphosphane;tris(furan-2-yl)phosphane.

Molecular Properties

Compound Nametriphenylphosphane;tris(furan-2-yl)phosphane
PubChem CID87666733
Molecular FormulaC30H24O3P2
Molecular Weight494.47 g/mol
Exact Mass494.12
IUPAC Nametriphenylphosphane;tris(furan-2-yl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1coc(P(c2ccco2)c2ccco2)c1
InChIInChI=1S/C18H15P.C12H9O3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-15H;1-9H
InChIKeyRFEZDYGEPFPGHZ-UHFFFAOYSA-N
XLogP5.67
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
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 triphenylphosphane;tris(furan-2-yl)phosphane?
The IUPAC name of triphenylphosphane;tris(furan-2-yl)phosphane (CID 87666733) is triphenylphosphane;tris(furan-2-yl)phosphane.
What is the SMILES notation for triphenylphosphane;tris(furan-2-yl)phosphane?
The canonical SMILES for triphenylphosphane;tris(furan-2-yl)phosphane is c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1coc(P(c2ccco2)c2ccco2)c1.
What is the InChIKey of triphenylphosphane;tris(furan-2-yl)phosphane?
The InChIKey is RFEZDYGEPFPGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C12H9O3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-15H;1-9H.
What are the key properties of triphenylphosphane;tris(furan-2-yl)phosphane?
triphenylphosphane;tris(furan-2-yl)phosphane has a molecular weight of 494.47 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylphosphane;tris(furan-2-yl)phosphane is sourced from PubChem (CID 87666733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).