[5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid

C16H12O6P2S4 — CID 23531410

IUPAC[5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid
SMILESO=P(O)(O)c1ccc(-c2ccc(-c3ccc(-c4ccc(P(=O)(O)O)s4)s3)s2)s1
InChIInChI=1S/C16H12O6P2S4/c17-23(18,19)15-7-5-13(27-15)11-3-1-9(25-11)10-2-4-12(26-10)14-6-8-16(28-14)24(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22)
InChIKeyBIGKKKGTFPOMLV-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.54
Rot. Bonds5

About [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid

[5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid (PubChem CID 23531410) has the molecular formula C16H12O6P2S4 and a molecular weight of 490.48 g/mol. Its IUPAC name is [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid
PubChem CID23531410
Molecular FormulaC16H12O6P2S4
Molecular Weight490.48 g/mol
Exact Mass489.90
IUPAC Name[5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid
SMILESO=P(O)(O)c1ccc(-c2ccc(-c3ccc(-c4ccc(P(=O)(O)O)s4)s3)s2)s1
InChIInChI=1S/C16H12O6P2S4/c17-23(18,19)15-7-5-13(27-15)11-3-1-9(25-11)10-2-4-12(26-10)14-6-8-16(28-14)24(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22)
InChIKeyBIGKKKGTFPOMLV-UHFFFAOYSA-N
XLogP4.54
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,5'''-Dimethyl-[2,2';5',2'';5'',2''']quaterthiophene
CID 9928752
(7Z,18Z)-23,24,25,26-tetrathiapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 145996548
Quaterthiophenediphosphonic acid
CID 88462993
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
2-[5-[5-(5-Hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethylphosphonic acid
CID 101466632
(6Z,16Z)-21,22,23,24-tetrathiapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 138981768
[2-(5-Phosphono-3,4-dithiophen-2-ylthiophen-2-yl)thiophen-3-yl]phosphonic acid
CID 19017341
4-[5-[5-[5-(5-Thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]butylphosphonic acid
CID 58782878
4-[5-(5-Thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butylphosphonic acid
CID 58782883
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''',4''-Bis(diethoxyphosphoryl)-[2,2';5',2'';5'',2''';5''',2'''';5'''',2''''']-sexithiophene
CID 59155858

Frequently Asked Questions

What is the IUPAC name of [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid?
The IUPAC name of [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid (CID 23531410) is [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid.
What is the SMILES notation for [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid?
The canonical SMILES for [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid is O=P(O)(O)c1ccc(-c2ccc(-c3ccc(-c4ccc(P(=O)(O)O)s4)s3)s2)s1.
What is the InChIKey of [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid?
The InChIKey is BIGKKKGTFPOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6P2S4/c17-23(18,19)15-7-5-13(27-15)11-3-1-9(25-11)10-2-4-12(26-10)14-6-8-16(28-14)24(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22).
What are the key properties of [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid?
[5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid has a molecular weight of 490.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[5-(5-phosphonothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid is sourced from PubChem (CID 23531410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).