diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane

C30H23PS3 — CID 166446977

IUPACdiphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccccc1Sc1ccccc1Sc1ccccc1
InChIInChI=1S/C30H23PS3/c32-31(24-14-4-1-5-15-24,25-16-6-2-7-17-25)27-20-10-11-21-28(27)34-30-23-13-12-22-29(30)33-26-18-8-3-9-19-26/h1-23H
InChIKeyRCDLWXBPFYPVEW-UHFFFAOYSA-N
MW510.69 g/mol
LogP7.74
Rot. Bonds7

About diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane

diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane (PubChem CID 166446977) has the molecular formula C30H23PS3 and a molecular weight of 510.69 g/mol. Its IUPAC name is diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane
PubChem CID166446977
Molecular FormulaC30H23PS3
Molecular Weight510.69 g/mol
Exact Mass510.07
IUPAC Namediphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccccc1Sc1ccccc1Sc1ccccc1
InChIInChI=1S/C30H23PS3/c32-31(24-14-4-1-5-15-24,25-16-6-2-7-17-25)27-20-10-11-21-28(27)34-30-23-13-12-22-29(30)33-26-18-8-3-9-19-26/h1-23H
InChIKeyRCDLWXBPFYPVEW-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.69
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
CID 13238195
1-isothiocyanato-2-phenylsulfanylbenzene
CID 22041265
CID 66690055
CID 66690055
2,6-bis(phenylsulfanyl)benzonitrile
CID 139640767
1-phenylsulfanylbiphenylene
CID 68821739
disulfanyl-phenyl-phenylsulfanyl-sulfanylidene-λ5-phosphane
CID 87476152
1-[2,3-bis(phenylsulfanyl)phenyl]ethanone
CID 150211220
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
methoxymethane;phenylsulfanylbenzene
CID 175087336
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
dichlororuthenium;phenylsulfanylbenzene
CID 18541858
Diphenylselenothiophosphinic acid
CID 11243432

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane?
The IUPAC name of diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane (CID 166446977) is diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane?
The canonical SMILES for diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)c1ccccc1Sc1ccccc1Sc1ccccc1.
What is the InChIKey of diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane?
The InChIKey is RCDLWXBPFYPVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23PS3/c32-31(24-14-4-1-5-15-24,25-16-6-2-7-17-25)27-20-10-11-21-28(27)34-30-23-13-12-22-29(30)33-26-18-8-3-9-19-26/h1-23H.
What are the key properties of diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane?
diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane has a molecular weight of 510.69 g/mol, XLogP of 7.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(2-phenylsulfanylphenyl)sulfanylphenyl]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 166446977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).