[4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane

C36H34P2S2 — CID 87404108

IUPAC[4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane
SMILESCC1=C(c2cc(C)sc2C)C(P(c2ccccc2)c2ccccc2)(P(c2ccccc2)c2ccccc2)C(C)S1
InChIInChI=1S/C36H34P2S2/c1-26-25-34(27(2)39-26)35-28(3)40-29(4)36(35,37(30-17-9-5-10-18-30)31-19-11-6-12-20-31)38(32-21-13-7-14-22-32)33-23-15-8-16-24-33/h5-25,29H,1-4H3
InChIKeyGTIZUPXVXLCIRA-UHFFFAOYSA-N
MW592.75 g/mol
LogP9.19
Rot. Bonds7

About [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane

[4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane (PubChem CID 87404108) has the molecular formula C36H34P2S2 and a molecular weight of 592.75 g/mol. Its IUPAC name is [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane
PubChem CID87404108
Molecular FormulaC36H34P2S2
Molecular Weight592.75 g/mol
Exact Mass592.16
IUPAC Name[4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane
SMILESCC1=C(c2cc(C)sc2C)C(P(c2ccccc2)c2ccccc2)(P(c2ccccc2)c2ccccc2)C(C)S1
InChIInChI=1S/C36H34P2S2/c1-26-25-34(27(2)39-26)35-28(3)40-29(4)36(35,37(30-17-9-5-10-18-30)31-19-11-6-12-20-31)38(32-21-13-7-14-22-32)33-23-15-8-16-24-33/h5-25,29H,1-4H3
InChIKeyGTIZUPXVXLCIRA-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10648060
CID 10648060
CID 142090
CID 142090
CID 54762615
CID 54762615
CID 14921927
CID 14921927
CID 134863993
CID 134863993
CID 134864589
CID 134864589
CID 5231833
CID 5231833
CID 9963051
CID 9963051
CID 11955039
CID 11955039
CID 11988817
CID 11988817
CID 12015147
CID 12015147
CID 12067694
CID 12067694

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane?
The IUPAC name of [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane (CID 87404108) is [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane.
What is the SMILES notation for [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane?
The canonical SMILES for [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane is CC1=C(c2cc(C)sc2C)C(P(c2ccccc2)c2ccccc2)(P(c2ccccc2)c2ccccc2)C(C)S1.
What is the InChIKey of [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane?
The InChIKey is GTIZUPXVXLCIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34P2S2/c1-26-25-34(27(2)39-26)35-28(3)40-29(4)36(35,37(30-17-9-5-10-18-30)31-19-11-6-12-20-31)38(32-21-13-7-14-22-32)33-23-15-8-16-24-33/h5-25,29H,1-4H3.
What are the key properties of [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane?
[4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane has a molecular weight of 592.75 g/mol, XLogP of 9.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylthiophen-3-yl)-3-diphenylphosphanyl-2,5-dimethyl-2H-thiophen-3-yl]-diphenylphosphane is sourced from PubChem (CID 87404108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).