2,4,6-tris(4-phenylphenyl)thiopyrylium

C41H29S+ — CID 177440907

IUPAC2,4,6-tris(4-phenylphenyl)thiopyrylium
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)[s+]c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C41H29S/c1-4-10-30(11-5-1)33-16-18-36(19-17-33)39-28-40(37-24-20-34(21-25-37)31-12-6-2-7-13-31)42-41(29-39)38-26-22-35(23-27-38)32-14-8-3-9-15-32/h1-29H/q+1
InChIKeyVVJXSXYZJCZTHP-UHFFFAOYSA-N
MW553.75 g/mol
LogP12.03
Rot. Bonds6

About 2,4,6-tris(4-phenylphenyl)thiopyrylium

2,4,6-tris(4-phenylphenyl)thiopyrylium (PubChem CID 177440907) has the molecular formula C41H29S+ and a molecular weight of 553.75 g/mol. Its IUPAC name is 2,4,6-tris(4-phenylphenyl)thiopyrylium.

Molecular Properties

Compound Name2,4,6-tris(4-phenylphenyl)thiopyrylium
PubChem CID177440907
Molecular FormulaC41H29S+
Molecular Weight553.75 g/mol
Exact Mass553.20
IUPAC Name2,4,6-tris(4-phenylphenyl)thiopyrylium
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)[s+]c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C41H29S/c1-4-10-30(11-5-1)33-16-18-36(19-17-33)39-28-40(37-24-20-34(21-25-37)31-12-6-2-7-13-31)42-41(29-39)38-26-22-35(23-27-38)32-14-8-3-9-15-32/h1-29H/q+1
InChIKeyVVJXSXYZJCZTHP-UHFFFAOYSA-N
XLogP12.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4,6-tris(4-phenylphenyl)thiopyrylium 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

4-(4-methylphenyl)-2,6-diphenylthiopyrylium
CID 10836168
4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate
CID 86223340
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
benzene;tris(1,1'-biphenyl)
CID 162155747
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
ethane;1,3,5-triphenylbenzene
CID 142123051

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-phenylphenyl)thiopyrylium?
The IUPAC name of 2,4,6-tris(4-phenylphenyl)thiopyrylium (CID 177440907) is 2,4,6-tris(4-phenylphenyl)thiopyrylium.
What is the SMILES notation for 2,4,6-tris(4-phenylphenyl)thiopyrylium?
The canonical SMILES for 2,4,6-tris(4-phenylphenyl)thiopyrylium is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)[s+]c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of 2,4,6-tris(4-phenylphenyl)thiopyrylium?
The InChIKey is VVJXSXYZJCZTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29S/c1-4-10-30(11-5-1)33-16-18-36(19-17-33)39-28-40(37-24-20-34(21-25-37)31-12-6-2-7-13-31)42-41(29-39)38-26-22-35(23-27-38)32-14-8-3-9-15-32/h1-29H/q+1.
What are the key properties of 2,4,6-tris(4-phenylphenyl)thiopyrylium?
2,4,6-tris(4-phenylphenyl)thiopyrylium has a molecular weight of 553.75 g/mol, XLogP of 12.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-phenylphenyl)thiopyrylium is sourced from PubChem (CID 177440907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).