anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium

C28H23OS+ — CID 158237615

IUPACanthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(C)cc2)c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C28H23OS/c1-20-10-14-25(15-11-20)30(26-16-12-24(29-2)13-17-26)28-9-5-8-23-18-21-6-3-4-7-22(21)19-27(23)28/h3-19H,1-2H3/q+1
InChIKeySRNUYDJYKWEVFB-UHFFFAOYSA-N
MW407.56 g/mol
LogP7.41
Rot. Bonds4

About anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium

anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium (PubChem CID 158237615) has the molecular formula C28H23OS+ and a molecular weight of 407.56 g/mol. Its IUPAC name is anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium.

Molecular Properties

Compound Nameanthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
PubChem CID158237615
Molecular FormulaC28H23OS+
Molecular Weight407.56 g/mol
Exact Mass407.15
IUPAC Nameanthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(C)cc2)c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C28H23OS/c1-20-10-14-25(15-11-20)30(26-16-12-24(29-2)13-17-26)28-9-5-8-23-18-21-6-3-4-7-22(21)19-27(23)28/h3-19H,1-2H3/q+1
InChIKeySRNUYDJYKWEVFB-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium 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

(2,3-dimethylphenyl)-(4-methoxyphenyl)-phenylsulfanium
CID 151044563
(4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium
CID 58908090
(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
CID 143927079
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
1-(113C)methoxy-4-methylbenzene
CID 166176950
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium
CID 132571477
1-methoxy-4-methylbenzene;propane
CID 142064987
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
bis(4-methylphenyl)-phenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(trifluoromethanesulfonate);tris(4-methylphenyl)sulfanium
CID 159993942
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243

Frequently Asked Questions

What is the IUPAC name of anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium?
The IUPAC name of anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium (CID 158237615) is anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium.
What is the SMILES notation for anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium?
The canonical SMILES for anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium is COc1ccc([S+](c2ccc(C)cc2)c2cccc3cc4ccccc4cc23)cc1.
What is the InChIKey of anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium?
The InChIKey is SRNUYDJYKWEVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23OS/c1-20-10-14-25(15-11-20)30(26-16-12-24(29-2)13-17-26)28-9-5-8-23-18-21-6-3-4-7-22(21)19-27(23)28/h3-19H,1-2H3/q+1.
What are the key properties of anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium?
anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium has a molecular weight of 407.56 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium is sourced from PubChem (CID 158237615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).