bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium

C130H112O7S6+6 — CID 158109202

IUPACbis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc2cc([S+](c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C30H21S.C30H27S.C20H18OS.C18H14O3S.C18H14O2S.C14H14OS/c1-4-10-25-19-28(16-13-22(25)7-1)31(29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-30(2,3)26-14-18-27(19-15-26)31(28-16-12-22-8-4-6-10-24(22)20-28)29-17-13-23-9-5-7-11-25(23)21-29;1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-21H;4-21H,1-3H3;3-14H,1-2H3;1-12H,(H2-,19,20,21);1-13H,(H-,19,20);1-2,5-8H,3-4,9-10H2/q2*+1;;;;/p+4
InChIKeyFQFFBXFSZKTIAL-UHFFFAOYSA-R
MW1978.72 g/mol
LogP33.14
Rot. Bonds16

About bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium

bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium (PubChem CID 158109202) has the molecular formula C130H112O7S6+6 and a molecular weight of 1978.72 g/mol. Its IUPAC name is bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium.

Molecular Properties

Compound Namebis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium
PubChem CID158109202
Molecular FormulaC130H112O7S6+6
Molecular Weight1978.72 g/mol
Exact Mass1976.67
IUPAC Namebis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc2cc([S+](c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C30H21S.C30H27S.C20H18OS.C18H14O3S.C18H14O2S.C14H14OS/c1-4-10-25-19-28(16-13-22(25)7-1)31(29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-30(2,3)26-14-18-27(19-15-26)31(28-16-12-22-8-4-6-10-24(22)20-28)29-17-13-23-9-5-7-11-25(23)21-29;1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-21H;4-21H,1-3H3;3-14H,1-2H3;1-12H,(H2-,19,20,21);1-13H,(H-,19,20);1-2,5-8H,3-4,9-10H2/q2*+1;;;;/p+4
InChIKeyFQFFBXFSZKTIAL-UHFFFAOYSA-R
XLogP33.14
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001978.72
LogP ≤ 533.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium?
The IUPAC name of bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium (CID 158109202) is bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium.
What is the SMILES notation for bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium?
The canonical SMILES for bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium is CC(C)(C)c1ccc([S+](c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc2cc([S+](c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium?
The InChIKey is FQFFBXFSZKTIAL-UHFFFAOYSA-R. The full InChI is InChI=1S/C30H21S.C30H27S.C20H18OS.C18H14O3S.C18H14O2S.C14H14OS/c1-4-10-25-19-28(16-13-22(25)7-1)31(29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-30(2,3)26-14-18-27(19-15-26)31(28-16-12-22-8-4-6-10-24(22)20-28)29-17-13-23-9-5-7-11-25(23)21-29;1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-21H;4-21H,1-3H3;3-14H,1-2H3;1-12H,(H2-,19,20,21);1-13H,(H-,19,20);1-2,5-8H,3-4,9-10H2/q2*+1;;;;/p+4.
What are the key properties of bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium?
bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium has a molecular weight of 1978.72 g/mol, XLogP of 33.14, 16 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenyl)-phenylsulfanium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;trinaphthalen-2-ylsulfanium;tris(4-hydroxyphenyl)sulfanium is sourced from PubChem (CID 158109202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).