bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium

C131H144S6+6 — CID 159573279

IUPACbis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium
SMILESCC(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.C[S+](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31S.C24H27S.C21H21S.C21H29S.C20H19S.C19H17S/c1-2-3-4-5-6-9-14-23-19-21-26(22-20-23)27(24-15-10-7-11-16-24)25-17-12-8-13-18-25;1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23;1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-20(2,3)16-8-12-18(13-9-16)22(7)19-14-10-17(11-15-19)21(4,5)6;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h7-8,10-13,15-22H,2-6,9,14H2,1H3;5-6,8-11,13-20H,2-4,7,12H2,1H3;3-17H,1-2H3;8-15H,1-7H3;3-15H,1-2H3;2-15H,1H3/q6*+1
InChIKeyMIBXAHCMCBYFJU-UHFFFAOYSA-N
MW1910.99 g/mol
LogP36.93
Rot. Bonds30

About bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium

bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium (PubChem CID 159573279) has the molecular formula C131H144S6+6 and a molecular weight of 1910.99 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium
PubChem CID159573279
Molecular FormulaC131H144S6+6
Molecular Weight1910.99 g/mol
Exact Mass1908.96
IUPAC Namebis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium
SMILESCC(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.C[S+](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31S.C24H27S.C21H21S.C21H29S.C20H19S.C19H17S/c1-2-3-4-5-6-9-14-23-19-21-26(22-20-23)27(24-15-10-7-11-16-24)25-17-12-8-13-18-25;1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23;1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-20(2,3)16-8-12-18(13-9-16)22(7)19-14-10-17(11-15-19)21(4,5)6;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h7-8,10-13,15-22H,2-6,9,14H2,1H3;5-6,8-11,13-20H,2-4,7,12H2,1H3;3-17H,1-2H3;8-15H,1-7H3;3-15H,1-2H3;2-15H,1H3/q6*+1
InChIKeyMIBXAHCMCBYFJU-UHFFFAOYSA-N
XLogP36.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001910.99
LogP ≤ 536.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium with MolForge

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Related Compounds

diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
CID 159034769
diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-ethylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
CID 161235230
bis(4-methylphenyl)-(4-octylphenyl)sulfanium
CID 58445641
bis(4-hexylphenyl)-phenylsulfanium
CID 157117757
cumene;1-hexyl-4-propan-2-ylbenzene;methane;propane
CID 157275582
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
1-N,4-N-bis(4-butylphenyl)-4-N-(4-tert-butylphenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 70822243
(4-decyl-2-methylphenyl)-diphenylsulfanium
CID 22057431
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-tert-butyl-4-undecylbenzene
CID 162402478
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium?
The IUPAC name of bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium (CID 159573279) is bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium.
What is the SMILES notation for bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium?
The canonical SMILES for bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium is CC(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.C[S+](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium?
The InChIKey is MIBXAHCMCBYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31S.C24H27S.C21H21S.C21H29S.C20H19S.C19H17S/c1-2-3-4-5-6-9-14-23-19-21-26(22-20-23)27(24-15-10-7-11-16-24)25-17-12-8-13-18-25;1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23;1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-20(2,3)16-8-12-18(13-9-16)22(7)19-14-10-17(11-15-19)21(4,5)6;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h7-8,10-13,15-22H,2-6,9,14H2,1H3;5-6,8-11,13-20H,2-4,7,12H2,1H3;3-17H,1-2H3;8-15H,1-7H3;3-15H,1-2H3;2-15H,1H3/q6*+1.
What are the key properties of bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium?
bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium has a molecular weight of 1910.99 g/mol, XLogP of 36.93, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-methylsulfanium;bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-octylphenyl)-diphenylsulfanium is sourced from PubChem (CID 159573279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).