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

C40H48O6P2S6 — CID 11297488

IUPAC2-(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
SMILESCCOP(=O)(CCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCCCP(=O)(OCC)OCC)s6)s5)s4)s3)s2)s1)OCC
InChIInChI=1S/C40H48O6P2S6/c1-5-43-47(41,44-6-2)27-11-9-13-29-15-17-31(49-29)33-19-21-35(51-33)37-23-25-39(53-37)40-26-24-38(54-40)36-22-20-34(52-36)32-18-16-30(50-32)14-10-12-28-48(42,45-7-3)46-8-4/h15-26H,5-14,27-28H2,1-4H3
InChIKeyBICYZGAFFDOPQN-UHFFFAOYSA-N
MW879.17 g/mol
LogP15.57
Rot. Bonds23

About 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

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 (PubChem CID 11297488) has the molecular formula C40H48O6P2S6 and a molecular weight of 879.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID11297488
Molecular FormulaC40H48O6P2S6
Molecular Weight879.17 g/mol
Exact Mass878.13
IUPAC Name2-(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
SMILESCCOP(=O)(CCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCCCP(=O)(OCC)OCC)s6)s5)s4)s3)s2)s1)OCC
InChIInChI=1S/C40H48O6P2S6/c1-5-43-47(41,44-6-2)27-11-9-13-29-15-17-31(49-29)33-19-21-35(51-33)37-23-25-39(53-37)40-26-24-38(54-40)36-22-20-34(52-36)32-18-16-30(50-32)14-10-12-28-48(42,45-7-3)46-8-4/h15-26H,5-14,27-28H2,1-4H3
InChIKeyBICYZGAFFDOPQN-UHFFFAOYSA-N
XLogP15.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500879.17
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

[5-[5-[5-(5-Phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid
CID 23531410
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-2-(4-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
CID 59155810
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
5,5''-Diiodo-3',4'-bis(diethoxyphosphoryl)-[2,2';5',2'']-terthiophene
CID 59155829
Tributyl-[3-dibutoxyphosphoryl-5-(3-dibutoxyphosphoryl-5-methylthiophen-2-yl)thiophen-2-yl]stannane
CID 59155831
[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
3-Diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
CID 59155843

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOP(=O)(CCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(CCCCP(=O)(OCC)OCC)s6)s5)s4)s3)s2)s1)OCC.
What is the InChIKey of 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?
The InChIKey is BICYZGAFFDOPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48O6P2S6/c1-5-43-47(41,44-6-2)27-11-9-13-29-15-17-31(49-29)33-19-21-35(51-33)37-23-25-39(53-37)40-26-24-38(54-40)36-22-20-34(52-36)32-18-16-30(50-32)14-10-12-28-48(42,45-7-3)46-8-4/h15-26H,5-14,27-28H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 879.17 g/mol, XLogP of 15.57, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11297488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).