2,5-bis(diphenylphosphoryl)thiophene

C28H22O2P2S — CID 635500

IUPAC2,5-bis(diphenylphosphoryl)thiophene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C28H22O2P2S/c29-31(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-22-28(33-27)32(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKeyKYYIRCLYNDIEHT-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.03
Rot. Bonds6

About 2,5-bis(diphenylphosphoryl)thiophene

2,5-bis(diphenylphosphoryl)thiophene (PubChem CID 635500) has the molecular formula C28H22O2P2S and a molecular weight of 484.50 g/mol. Its IUPAC name is 2,5-bis(diphenylphosphoryl)thiophene.

Molecular Properties

Compound Name2,5-bis(diphenylphosphoryl)thiophene
PubChem CID635500
Molecular FormulaC28H22O2P2S
Molecular Weight484.50 g/mol
Exact Mass484.08
IUPAC Name2,5-bis(diphenylphosphoryl)thiophene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C28H22O2P2S/c29-31(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-22-28(33-27)32(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKeyKYYIRCLYNDIEHT-UHFFFAOYSA-N
XLogP5.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.03
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)thiophene?
The IUPAC name of 2,5-bis(diphenylphosphoryl)thiophene (CID 635500) is 2,5-bis(diphenylphosphoryl)thiophene.
What is the SMILES notation for 2,5-bis(diphenylphosphoryl)thiophene?
The canonical SMILES for 2,5-bis(diphenylphosphoryl)thiophene is O=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 2,5-bis(diphenylphosphoryl)thiophene?
The InChIKey is KYYIRCLYNDIEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2P2S/c29-31(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-22-28(33-27)32(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)thiophene?
2,5-bis(diphenylphosphoryl)thiophene has a molecular weight of 484.50 g/mol, XLogP of 5.03, 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)thiophene is sourced from PubChem (CID 635500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).