bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium

C33H37S2+ — CID 88530520

IUPACbis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium
SMILESCC(C)c1ccc(Sc2ccc([S+](c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C33H37S2/c1-23(2)26-7-13-29(14-8-26)34-30-15-21-33(22-16-30)35(31-17-9-27(10-18-31)24(3)4)32-19-11-28(12-20-32)25(5)6/h7-25H,1-6H3/q+1
InChIKeyDBGOAHOHQWJFGO-UHFFFAOYSA-N
MW497.79 g/mol
LogP10.30
Rot. Bonds8

About bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium

bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium (PubChem CID 88530520) has the molecular formula C33H37S2+ and a molecular weight of 497.79 g/mol. Its IUPAC name is bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium.

Molecular Properties

Compound Namebis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium
PubChem CID88530520
Molecular FormulaC33H37S2+
Molecular Weight497.79 g/mol
Exact Mass497.23
IUPAC Namebis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium
SMILESCC(C)c1ccc(Sc2ccc([S+](c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C33H37S2/c1-23(2)26-7-13-29(14-8-26)34-30-15-21-33(22-16-30)35(31-17-9-27(10-18-31)24(3)4)32-19-11-28(12-20-32)25(5)6/h7-25H,1-6H3/q+1
InChIKeyDBGOAHOHQWJFGO-UHFFFAOYSA-N
XLogP10.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.79
LogP ≤ 510.30
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

(4-phenylsulfanylphenyl)-(4-propan-2-ylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium hexafluorophosphate
CID 162329267
bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
CID 101131128
phenyl-bis(4-phenylsulfanylphenyl)sulfanium
CID 21049843
[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide
CID 71358485
antimony(5+);diphenyl-(4-phenylsulfanylphenyl)sulfanium;hexafluoride
CID 170839043
tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium
CID 44622255
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
1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone
CID 83119488
1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene
CID 167298783
N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfanylphenyl]-N-(4-tert-butylphenyl)-4-propan-2-ylaniline
CID 138547339
(3-methylphenyl)-(4-methylphenyl)-(4-propan-2-ylphenyl)sulfanium
CID 21028532

Frequently Asked Questions

What is the IUPAC name of bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium?
The IUPAC name of bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium (CID 88530520) is bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium.
What is the SMILES notation for bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium?
The canonical SMILES for bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium is CC(C)c1ccc(Sc2ccc([S+](c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)cc2)cc1.
What is the InChIKey of bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium?
The InChIKey is DBGOAHOHQWJFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37S2/c1-23(2)26-7-13-29(14-8-26)34-30-15-21-33(22-16-30)35(31-17-9-27(10-18-31)24(3)4)32-19-11-28(12-20-32)25(5)6/h7-25H,1-6H3/q+1.
What are the key properties of bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium?
bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium has a molecular weight of 497.79 g/mol, XLogP of 10.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium is sourced from PubChem (CID 88530520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).