(3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium

C38H31O2S2+ — CID 147710735

IUPAC(3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium
SMILESCOc1cccc([S+](c2ccc(-c3ccccc3)cc2)c2ccc(Sc3ccc(-c4ccccc4)cc3)cc2OC)c1
InChIInChI=1S/C38H31O2S2/c1-39-32-14-9-15-36(26-32)42(35-23-18-31(19-24-35)29-12-7-4-8-13-29)38-25-22-34(27-37(38)40-2)41-33-20-16-30(17-21-33)28-10-5-3-6-11-28/h3-27H,1-2H3/q+1
InChIKeyGUQQDNOXNJMLOE-UHFFFAOYSA-N
MW583.80 g/mol
LogP10.28
Rot. Bonds9

About (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium

(3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium (PubChem CID 147710735) has the molecular formula C38H31O2S2+ and a molecular weight of 583.80 g/mol. Its IUPAC name is (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium.

Molecular Properties

Compound Name(3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium
PubChem CID147710735
Molecular FormulaC38H31O2S2+
Molecular Weight583.80 g/mol
Exact Mass583.18
IUPAC Name(3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium
SMILESCOc1cccc([S+](c2ccc(-c3ccccc3)cc2)c2ccc(Sc3ccc(-c4ccccc4)cc3)cc2OC)c1
InChIInChI=1S/C38H31O2S2/c1-39-32-14-9-15-36(26-32)42(35-23-18-31(19-24-35)29-12-7-4-8-13-29)38-25-22-34(27-37(38)40-2)41-33-20-16-30(17-21-33)28-10-5-3-6-11-28/h3-27H,1-2H3/q+1
InChIKeyGUQQDNOXNJMLOE-UHFFFAOYSA-N
XLogP10.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.80
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-4-(9-oxothioxanthen-2-yl)sulfanylphenyl]-(3-methoxyphenyl)-(9-oxothioxanthen-2-yl)sulfanium
CID 163555269
[3-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(2-methylphenyl)-(4-phenylphenyl)sulfanium
CID 154485672
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium
CID 140741745
bis(4-diphenylsulfoniophenyl)-phenylsulfanium;diphenyl-[4-[phenyl-(4-phenylsulfanylphenyl)sulfonio]phenyl]sulfanium;(4-diphenylsulfoniophenyl)-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium
CID 158008394
bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium
CID 166590275
(2-methylphenyl)-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium;phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)sulfanylphenyl]sulfanium
CID 160622812
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium
CID 132571477
bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
CID 101131128
(3-methoxyphenyl)-diphenylsulfanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23133188
[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide
CID 71358485

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium?
The IUPAC name of (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium (CID 147710735) is (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium.
What is the SMILES notation for (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium?
The canonical SMILES for (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium is COc1cccc([S+](c2ccc(-c3ccccc3)cc2)c2ccc(Sc3ccc(-c4ccccc4)cc3)cc2OC)c1.
What is the InChIKey of (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium?
The InChIKey is GUQQDNOXNJMLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31O2S2/c1-39-32-14-9-15-36(26-32)42(35-23-18-31(19-24-35)29-12-7-4-8-13-29)38-25-22-34(27-37(38)40-2)41-33-20-16-30(17-21-33)28-10-5-3-6-11-28/h3-27H,1-2H3/q+1.
What are the key properties of (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium?
(3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium has a molecular weight of 583.80 g/mol, XLogP of 10.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium is sourced from PubChem (CID 147710735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).