diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium

C158H169S7+7 — CID 159034769

IUPACdiphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H39S.C26H31S.C24H27S.C21H21S.3C19H17S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-2-3-4-5-6-9-14-23-19-21-26(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;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h10-21H,1-9H3;7-8,10-13,15-22H,2-6,9,14H2,1H3;5-6,8-11,13-20H,2-4,7,12H2,1H3;4-15H,1-3H3;3*2-15H,1H3/q7*+1
InChIKeyJVICJVZEJKBLIZ-UHFFFAOYSA-N
MW2292.56 g/mol
LogP44.24
Rot. Bonds33

About diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium

diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium (PubChem CID 159034769) has the molecular formula C158H169S7+7 and a molecular weight of 2292.56 g/mol. Its IUPAC name is diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium.

Molecular Properties

Compound Namediphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
PubChem CID159034769
Molecular FormulaC158H169S7+7
Molecular Weight2292.56 g/mol
Exact Mass2290.12
IUPAC Namediphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H39S.C26H31S.C24H27S.C21H21S.3C19H17S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-2-3-4-5-6-9-14-23-19-21-26(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;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h10-21H,1-9H3;7-8,10-13,15-22H,2-6,9,14H2,1H3;5-6,8-11,13-20H,2-4,7,12H2,1H3;4-15H,1-3H3;3*2-15H,1H3/q7*+1
InChIKeyJVICJVZEJKBLIZ-UHFFFAOYSA-N
XLogP44.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002292.56
LogP ≤ 544.24
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 diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium with MolForge

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Related Compounds

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
bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(2-methylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium
CID 161465751
bis(4-methylphenyl)-(4-octylphenyl)sulfanium
CID 58445641
bis(4-hexylphenyl)-phenylsulfanium
CID 157117757
(4-tert-butylphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-(2-dodecylphenyl)-phenylsulfanium
CID 160706319
(4-decyl-2-methylphenyl)-diphenylsulfanium
CID 22057431
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-tert-butyl-4-undecylbenzene
CID 162402478
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
(4-tert-butyl-2,6-dimethylphenyl)-bis(4-methylphenyl)sulfanium
CID 58658264
1-methyl-4-octylbenzene
CID 11052746

Frequently Asked Questions

What is the IUPAC name of diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?
The IUPAC name of 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) is diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium.
What is the SMILES notation for diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?
The canonical SMILES for diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium is CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CCCCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?
The InChIKey is JVICJVZEJKBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39S.C26H31S.C24H27S.C21H21S.3C19H17S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-2-3-4-5-6-9-14-23-19-21-26(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;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h10-21H,1-9H3;7-8,10-13,15-22H,2-6,9,14H2,1H3;5-6,8-11,13-20H,2-4,7,12H2,1H3;4-15H,1-3H3;3*2-15H,1H3/q7*+1.
What are the key properties of diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?
diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium has a molecular weight of 2292.56 g/mol, XLogP of 44.24, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-hexylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);(4-octylphenyl)-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium is sourced from PubChem (CID 159034769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).