2,5-bis(diphenylphosphoryl)furan

C28H22O3P2 — CID 635314

IUPAC2,5-bis(diphenylphosphoryl)furan
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C28H22O3P2/c29-32(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-22-28(31-27)33(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKeyIMKLRZRHCYOOFN-UHFFFAOYSA-N
MW468.43 g/mol
LogP4.56
Rot. Bonds6

About 2,5-bis(diphenylphosphoryl)furan

2,5-bis(diphenylphosphoryl)furan (PubChem CID 635314) has the molecular formula C28H22O3P2 and a molecular weight of 468.43 g/mol. Its IUPAC name is 2,5-bis(diphenylphosphoryl)furan.

Molecular Properties

Compound Name2,5-bis(diphenylphosphoryl)furan
PubChem CID635314
Molecular FormulaC28H22O3P2
Molecular Weight468.43 g/mol
Exact Mass468.10
IUPAC Name2,5-bis(diphenylphosphoryl)furan
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C28H22O3P2/c29-32(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-22-28(31-27)33(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKeyIMKLRZRHCYOOFN-UHFFFAOYSA-N
XLogP4.56
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 54.56
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 2,5-bis(diphenylphosphoryl)furan?
The IUPAC name of 2,5-bis(diphenylphosphoryl)furan (CID 635314) is 2,5-bis(diphenylphosphoryl)furan.
What is the SMILES notation for 2,5-bis(diphenylphosphoryl)furan?
The canonical SMILES for 2,5-bis(diphenylphosphoryl)furan is O=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 2,5-bis(diphenylphosphoryl)furan?
The InChIKey is IMKLRZRHCYOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3P2/c29-32(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-22-28(31-27)33(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H.
What are the key properties of 2,5-bis(diphenylphosphoryl)furan?
2,5-bis(diphenylphosphoryl)furan has a molecular weight of 468.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(diphenylphosphoryl)furan is sourced from PubChem (CID 635314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).