phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium

C34H25S2+ — CID 174192104

IUPACphenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium
SMILESc1ccc(-c2ccc(-c3csc([S+](c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C34H25S2/c1-4-10-26(11-5-1)28-16-18-30(19-17-28)31-24-34(35-25-31)36(32-14-8-3-9-15-32)33-22-20-29(21-23-33)27-12-6-2-7-13-27/h1-25H/q+1
InChIKeyXKMIKYHJHXMASG-UHFFFAOYSA-N
MW497.71 g/mol
LogP9.84
Rot. Bonds6

About phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium

phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium (PubChem CID 174192104) has the molecular formula C34H25S2+ and a molecular weight of 497.71 g/mol. Its IUPAC name is phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium.

Molecular Properties

Compound Namephenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium
PubChem CID174192104
Molecular FormulaC34H25S2+
Molecular Weight497.71 g/mol
Exact Mass497.14
IUPAC Namephenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium
SMILESc1ccc(-c2ccc(-c3csc([S+](c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C34H25S2/c1-4-10-26(11-5-1)28-16-18-30(19-17-28)31-24-34(35-25-31)36(32-14-8-3-9-15-32)33-22-20-29(21-23-33)27-12-6-2-7-13-27/h1-25H/q+1
InChIKeyXKMIKYHJHXMASG-UHFFFAOYSA-N
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.71
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-(4-phenylthiophen-2-yl)sulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 86596252
4-phenylthiophen-2-amine;hydrochloride
CID 90309032
2,4-diphenylthiophene
CID 520616
[4-(4-methylphenyl)phenyl]-diphenylsulfanium
CID 172737703
[4-(4-phenylphenyl)thiophen-2-yl]hydrazine
CID 82056594
diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium
CID 140741745
4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene
CID 118927379
bis(4-diphenylsulfoniophenyl)-phenylsulfanium;diphenyl-[4-[phenyl-(4-phenylsulfanylphenyl)sulfonio]phenyl]sulfanium;(4-diphenylsulfoniophenyl)-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium
CID 158008394
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
4-(4-phenoxyphenyl)thiophen-2-amine
CID 82487351
diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride
CID 172791723
benzene;tris(1,1'-biphenyl)
CID 162155747

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium?
The IUPAC name of phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium (CID 174192104) is phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium.
What is the SMILES notation for phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium?
The canonical SMILES for phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium is c1ccc(-c2ccc(-c3csc([S+](c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium?
The InChIKey is XKMIKYHJHXMASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25S2/c1-4-10-26(11-5-1)28-16-18-30(19-17-28)31-24-34(35-25-31)36(32-14-8-3-9-15-32)33-22-20-29(21-23-33)27-12-6-2-7-13-27/h1-25H/q+1.
What are the key properties of phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium?
phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium has a molecular weight of 497.71 g/mol, XLogP of 9.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)thiophen-2-yl]sulfanium is sourced from PubChem (CID 174192104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).