1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene

C40H34O3S2 — CID 66864456

IUPAC1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene
SMILESCOc1ccc(C(SOSC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H34O3S2/c1-41-37-27-23-35(24-28-37)39(31-15-7-3-8-16-31,32-17-9-4-10-18-32)44-43-45-40(33-19-11-5-12-20-33,34-21-13-6-14-22-34)36-25-29-38(42-2)30-26-36/h3-30H,1-2H3
InChIKeyUTLXJTFJAYZQKI-UHFFFAOYSA-N
MW626.84 g/mol
LogP10.30
Rot. Bonds12

About 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene

1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene (PubChem CID 66864456) has the molecular formula C40H34O3S2 and a molecular weight of 626.84 g/mol. Its IUPAC name is 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene
PubChem CID66864456
Molecular FormulaC40H34O3S2
Molecular Weight626.84 g/mol
Exact Mass626.19
IUPAC Name1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene
SMILESCOc1ccc(C(SOSC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H34O3S2/c1-41-37-27-23-35(24-28-37)39(31-15-7-3-8-16-31,32-17-9-4-10-18-32)44-43-45-40(33-19-11-5-12-20-33,34-21-13-6-14-22-34)36-25-29-38(42-2)30-26-36/h3-30H,1-2H3
InChIKeyUTLXJTFJAYZQKI-UHFFFAOYSA-N
XLogP10.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.84
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine
CID 71339520
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanal
CID 143030464
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
CID 158331426
N-[bis(4-methoxyphenyl)-phenylmethyl]methanimine
CID 163625272
1-methoxy-4-[nitroso(diphenyl)methyl]benzene
CID 88893098
1-[1,1-bis(phenylsulfanyl)ethyl]-4-methoxybenzene
CID 102387106
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene?
The IUPAC name of 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene (CID 66864456) is 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene is COc1ccc(C(SOSC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene?
The InChIKey is UTLXJTFJAYZQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O3S2/c1-41-37-27-23-35(24-28-37)39(31-15-7-3-8-16-31,32-17-9-4-10-18-32)44-43-45-40(33-19-11-5-12-20-33,34-21-13-6-14-22-34)36-25-29-38(42-2)30-26-36/h3-30H,1-2H3.
What are the key properties of 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene?
1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene has a molecular weight of 626.84 g/mol, XLogP of 10.30, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene is sourced from PubChem (CID 66864456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).