tris(5-thiophen-2-ylthiophen-2-yl)phosphane

C24H15PS6 — CID 101444105

IUPACtris(5-thiophen-2-ylthiophen-2-yl)phosphane
SMILESc1csc(-c2ccc(P(c3ccc(-c4cccs4)s3)c3ccc(-c4cccs4)s3)s2)c1
InChIInChI=1S/C24H15PS6/c1-4-16(26-13-1)19-7-10-22(29-19)25(23-11-8-20(30-23)17-5-2-14-27-17)24-12-9-21(31-24)18-6-3-15-28-18/h1-15H
InChIKeyWFNVAMDXDFPEIR-UHFFFAOYSA-N
MW526.76 g/mol
LogP8.81
Rot. Bonds6

About tris(5-thiophen-2-ylthiophen-2-yl)phosphane

tris(5-thiophen-2-ylthiophen-2-yl)phosphane (PubChem CID 101444105) has the molecular formula C24H15PS6 and a molecular weight of 526.76 g/mol. Its IUPAC name is tris(5-thiophen-2-ylthiophen-2-yl)phosphane.

Molecular Properties

Compound Nametris(5-thiophen-2-ylthiophen-2-yl)phosphane
PubChem CID101444105
Molecular FormulaC24H15PS6
Molecular Weight526.76 g/mol
Exact Mass525.92
IUPAC Nametris(5-thiophen-2-ylthiophen-2-yl)phosphane
SMILESc1csc(-c2ccc(P(c3ccc(-c4cccs4)s3)c3ccc(-c4cccs4)s3)s2)c1
InChIInChI=1S/C24H15PS6/c1-4-16(26-13-1)19-7-10-22(29-19)25(23-11-8-20(30-23)17-5-2-14-27-17)24-12-9-21(31-24)18-6-3-15-28-18/h1-15H
InChIKeyWFNVAMDXDFPEIR-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.76
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate
CID 19788970
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
thiophene;2-thiophen-2-ylthiophene
CID 158809122
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2-prop-1-enyl-5-thiophen-2-ylthiophene
CID 54395841
dichloro-methyl-(5-thiophen-2-ylthiophen-2-yl)silane
CID 25000318
2-[(Z)-prop-1-enyl]-5-thiophen-2-ylthiophene
CID 67628912

Frequently Asked Questions

What is the IUPAC name of tris(5-thiophen-2-ylthiophen-2-yl)phosphane?
The IUPAC name of tris(5-thiophen-2-ylthiophen-2-yl)phosphane (CID 101444105) is tris(5-thiophen-2-ylthiophen-2-yl)phosphane.
What is the SMILES notation for tris(5-thiophen-2-ylthiophen-2-yl)phosphane?
The canonical SMILES for tris(5-thiophen-2-ylthiophen-2-yl)phosphane is c1csc(-c2ccc(P(c3ccc(-c4cccs4)s3)c3ccc(-c4cccs4)s3)s2)c1.
What is the InChIKey of tris(5-thiophen-2-ylthiophen-2-yl)phosphane?
The InChIKey is WFNVAMDXDFPEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15PS6/c1-4-16(26-13-1)19-7-10-22(29-19)25(23-11-8-20(30-23)17-5-2-14-27-17)24-12-9-21(31-24)18-6-3-15-28-18/h1-15H.
What are the key properties of tris(5-thiophen-2-ylthiophen-2-yl)phosphane?
tris(5-thiophen-2-ylthiophen-2-yl)phosphane has a molecular weight of 526.76 g/mol, XLogP of 8.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-thiophen-2-ylthiophen-2-yl)phosphane is sourced from PubChem (CID 101444105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).