[2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane

C32H32O4P2S6 — CID 59155842

IUPAC[2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane
SMILESCCOP(CC)c1cc(-c2ccc(-c3cccs3)s2)sc1-c1sc(-c2ccc(-c3cccs3)s2)cc1P(=O)(OCC)OCC
InChIInChI=1S/C32H32O4P2S6/c1-5-34-37(8-4)21-19-29(27-15-13-25(41-27)23-11-9-17-39-23)43-31(21)32-22(38(33,35-6-2)36-7-3)20-30(44-32)28-16-14-26(42-28)24-12-10-18-40-24/h9-20H,5-8H2,1-4H3
InChIKeyPRBZDRVUCWNWCH-UHFFFAOYSA-N
MW734.95 g/mol
LogP12.36
Rot. Bonds14

About [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane

[2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane (PubChem CID 59155842) has the molecular formula C32H32O4P2S6 and a molecular weight of 734.95 g/mol. Its IUPAC name is [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane.

Molecular Properties

Compound Name[2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane
PubChem CID59155842
Molecular FormulaC32H32O4P2S6
Molecular Weight734.95 g/mol
Exact Mass734.01
IUPAC Name[2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane
SMILESCCOP(CC)c1cc(-c2ccc(-c3cccs3)s2)sc1-c1sc(-c2ccc(-c3cccs3)s2)cc1P(=O)(OCC)OCC
InChIInChI=1S/C32H32O4P2S6/c1-5-34-37(8-4)21-19-29(27-15-13-25(41-27)23-11-9-17-39-23)43-31(21)32-22(38(33,35-6-2)36-7-3)20-30(44-32)28-16-14-26(42-28)24-12-10-18-40-24/h9-20H,5-8H2,1-4H3
InChIKeyPRBZDRVUCWNWCH-UHFFFAOYSA-N
XLogP12.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.95
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Diethoxyphosphorylbutyl)-5-[5-[5-[5-[5-[5-(4-diethoxyphosphorylbutyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 11297488
4-[2-(4-Phosphonobutyl)-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]butylphosphonic acid
CID 22634626
4-[5-[5-[5-(5-Thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]butylphosphonic acid
CID 58782878
3-Diethoxyphosphoryl-4-dimethylphosphoryl-2,5-bis(5-methylthiophen-2-yl)thiophene
CID 59155808
3-Diethoxyphosphoryl-5-[4-diethoxyphosphoryl-5-(3-diethoxyphosphorylthiophen-2-yl)thiophen-2-yl]-2-(3-diethoxyphosphorylthiophen-2-yl)thiophene
CID 59155812
3,4-Bis(diethoxyphosphoryl)-2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
CID 59155819
3-Dibutoxyphosphoryl-2-[4-dibutoxyphosphoryl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
CID 59155820
3,4-Bis(dioctoxyphosphoryl)-2,5-bis(5-thiophen-2-ylthiophen-2-yl)thiophene
CID 59155827
4,3'-Bis(diethoxyphosphoryl)-[2,2']-bithiophene
CID 59155848
3''',4''-Bis(diethoxyphosphoryl)-[2,2';5',2'';5'',2''';5''',2'''';5'''',2''''']-sexithiophene
CID 59155858
3'',4''-Diphosphono-[2,2';5',2'';5'',2''';5''',2'''']-quinquethiophene
CID 59155876
3,4-Bis(diethoxyphosphoryl)-2,5-bis[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 59155879

Frequently Asked Questions

What is the IUPAC name of [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane?
The IUPAC name of [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane (CID 59155842) is [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane.
What is the SMILES notation for [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane?
The canonical SMILES for [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane is CCOP(CC)c1cc(-c2ccc(-c3cccs3)s2)sc1-c1sc(-c2ccc(-c3cccs3)s2)cc1P(=O)(OCC)OCC.
What is the InChIKey of [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane?
The InChIKey is PRBZDRVUCWNWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O4P2S6/c1-5-34-37(8-4)21-19-29(27-15-13-25(41-27)23-11-9-17-39-23)43-31(21)32-22(38(33,35-6-2)36-7-3)20-30(44-32)28-16-14-26(42-28)24-12-10-18-40-24/h9-20H,5-8H2,1-4H3.
What are the key properties of [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane?
[2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane has a molecular weight of 734.95 g/mol, XLogP of 12.36, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]-ethoxy-ethylphosphane is sourced from PubChem (CID 59155842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).