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

C32H32O6P2S6 — CID 59155858

IUPAC3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
SMILESCCOP(=O)(OCC)c1cc(-c2ccc(-c3cccs3)s2)sc1-c1sc(-c2ccc(-c3cccs3)s2)cc1P(=O)(OCC)OCC
InChIInChI=1S/C32H32O6P2S6/c1-5-35-39(33,36-6-2)21-19-29(27-15-13-25(43-27)23-11-9-17-41-23)45-31(21)32-22(40(34,37-7-3)38-8-4)20-30(46-32)28-16-14-26(44-28)24-12-10-18-42-24/h9-20H,5-8H2,1-4H3
InChIKeyDDHFHBAJBLALTR-UHFFFAOYSA-N
MW766.95 g/mol
LogP12.17
Rot. Bonds15

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

3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene (PubChem CID 59155858) has the molecular formula C32H32O6P2S6 and a molecular weight of 766.95 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
PubChem CID59155858
Molecular FormulaC32H32O6P2S6
Molecular Weight766.95 g/mol
Exact Mass766.00
IUPAC Name3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
SMILESCCOP(=O)(OCC)c1cc(-c2ccc(-c3cccs3)s2)sc1-c1sc(-c2ccc(-c3cccs3)s2)cc1P(=O)(OCC)OCC
InChIInChI=1S/C32H32O6P2S6/c1-5-35-39(33,36-6-2)21-19-29(27-15-13-25(43-27)23-11-9-17-41-23)45-31(21)32-22(40(34,37-7-3)38-8-4)20-30(46-32)28-16-14-26(44-28)24-12-10-18-42-24/h9-20H,5-8H2,1-4H3
InChIKeyDDHFHBAJBLALTR-UHFFFAOYSA-N
XLogP12.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene (CID 59155858) is 3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene is CCOP(=O)(OCC)c1cc(-c2ccc(-c3cccs3)s2)sc1-c1sc(-c2ccc(-c3cccs3)s2)cc1P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The InChIKey is DDHFHBAJBLALTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O6P2S6/c1-5-35-39(33,36-6-2)21-19-29(27-15-13-25(43-27)23-11-9-17-41-23)45-31(21)32-22(40(34,37-7-3)38-8-4)20-30(46-32)28-16-14-26(44-28)24-12-10-18-42-24/h9-20H,5-8H2,1-4H3.
What are the key properties of 3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene has a molecular weight of 766.95 g/mol, XLogP of 12.17, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-2-[3-diethoxyphosphoryl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 59155858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).