1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene

C32H26OS2 — CID 21049785

IUPAC1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene
SMILESCOC(c1ccccc1)(c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C32H26OS2/c1-33-32(25-11-5-2-6-12-25,26-17-21-30(22-18-26)34-28-13-7-3-8-14-28)27-19-23-31(24-20-27)35-29-15-9-4-10-16-29/h2-24H,1H3
InChIKeyMEFOWDNNJBHFFW-UHFFFAOYSA-N
MW490.69 g/mol
LogP8.93
Rot. Bonds8

About 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene

1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene (PubChem CID 21049785) has the molecular formula C32H26OS2 and a molecular weight of 490.69 g/mol. Its IUPAC name is 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene
PubChem CID21049785
Molecular FormulaC32H26OS2
Molecular Weight490.69 g/mol
Exact Mass490.14
IUPAC Name1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene
SMILESCOC(c1ccccc1)(c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C32H26OS2/c1-33-32(25-11-5-2-6-12-25,26-17-21-30(22-18-26)34-28-13-7-3-8-14-28)27-19-23-31(24-20-27)35-29-15-9-4-10-16-29/h2-24H,1H3
InChIKeyMEFOWDNNJBHFFW-UHFFFAOYSA-N
XLogP8.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene?
The IUPAC name of 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene (CID 21049785) is 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene.
What is the SMILES notation for 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene?
The canonical SMILES for 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene is COC(c1ccccc1)(c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene?
The InChIKey is MEFOWDNNJBHFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26OS2/c1-33-32(25-11-5-2-6-12-25,26-17-21-30(22-18-26)34-28-13-7-3-8-14-28)27-19-23-31(24-20-27)35-29-15-9-4-10-16-29/h2-24H,1H3.
What are the key properties of 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene?
1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene has a molecular weight of 490.69 g/mol, XLogP of 8.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy-phenyl-(4-phenylsulfanylphenyl)methyl]-4-phenylsulfanylbenzene is sourced from PubChem (CID 21049785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).