4-(4-methylphenyl)-2,6-diphenylthiopyrylium

C24H19S+ — CID 10836168

IUPAC4-(4-methylphenyl)-2,6-diphenylthiopyrylium
SMILESCc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H19S/c1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)25-24(17-22)21-10-6-3-7-11-21/h2-17H,1H3/q+1
InChIKeyOKNOXOPXDDNFSD-UHFFFAOYSA-N
MW339.48 g/mol
LogP7.34
Rot. Bonds3

About 4-(4-methylphenyl)-2,6-diphenylthiopyrylium

4-(4-methylphenyl)-2,6-diphenylthiopyrylium (PubChem CID 10836168) has the molecular formula C24H19S+ and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2,6-diphenylthiopyrylium.

Molecular Properties

Compound Name4-(4-methylphenyl)-2,6-diphenylthiopyrylium
PubChem CID10836168
Molecular FormulaC24H19S+
Molecular Weight339.48 g/mol
Exact Mass339.12
IUPAC Name4-(4-methylphenyl)-2,6-diphenylthiopyrylium
SMILESCc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H19S/c1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)25-24(17-22)21-10-6-3-7-11-21/h2-17H,1H3/q+1
InChIKeyOKNOXOPXDDNFSD-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tris(4-phenylphenyl)thiopyrylium
CID 177440907
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate
CID 86223340
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
bis(2,6-bis(4-methoxyphenyl)-4-phenylthiopyrylium);fluoro(dioxido)borane
CID 88603937
1,1'-biphenyl;toluene
CID 18366440
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2,6-diphenylthiopyrylium?
The IUPAC name of 4-(4-methylphenyl)-2,6-diphenylthiopyrylium (CID 10836168) is 4-(4-methylphenyl)-2,6-diphenylthiopyrylium.
What is the SMILES notation for 4-(4-methylphenyl)-2,6-diphenylthiopyrylium?
The canonical SMILES for 4-(4-methylphenyl)-2,6-diphenylthiopyrylium is Cc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2,6-diphenylthiopyrylium?
The InChIKey is OKNOXOPXDDNFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19S/c1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)25-24(17-22)21-10-6-3-7-11-21/h2-17H,1H3/q+1.
What are the key properties of 4-(4-methylphenyl)-2,6-diphenylthiopyrylium?
4-(4-methylphenyl)-2,6-diphenylthiopyrylium has a molecular weight of 339.48 g/mol, XLogP of 7.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2,6-diphenylthiopyrylium is sourced from PubChem (CID 10836168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).