(4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium

C155H134O17S6+6 — CID 158509391

IUPAC(4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium
SMILESC=C(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1=CCc2ccccc21.O=C(OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H27O3S.C31H27O6S.C30H25O3S.C20H19O2S.C20H17O2S.C20H19OS/c35-34(33-31-17-9-7-15-29(31)30-16-8-10-18-32(30)33)37-24-23-36-25-19-21-28(22-20-25)38(26-11-3-1-4-12-26)27-13-5-2-6-14-27;1-18(2)29(32)36-27-23-17-24-26(31(34)37-28(24)27)25(23)30(33)35-19-13-15-22(16-14-19)38(20-9-5-3-6-10-20)21-11-7-4-8-12-21;31-30(29-20-15-23-9-7-8-14-28(23)29)33-22-21-32-24-16-18-27(19-17-24)34(25-10-3-1-4-11-25)26-12-5-2-6-13-26;1-21-16-22-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-16(21)22-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h1-22,33H,23-24H2;3-16,23-28H,1,17H2,2H3;1-14,16-20H,15,21-22H2;2-15H,16H2,1H3;2-15H,1H3;3-16H,2H2,1H3/q6*+1
InChIKeyHKWAGJGNHDHQTI-UHFFFAOYSA-N
MW2461.16 g/mol
LogP33.50
Rot. Bonds38

About (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium

(4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium (PubChem CID 158509391) has the molecular formula C155H134O17S6+6 and a molecular weight of 2461.16 g/mol. Its IUPAC name is (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium.

Molecular Properties

Compound Name(4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium
PubChem CID158509391
Molecular FormulaC155H134O17S6+6
Molecular Weight2461.16 g/mol
Exact Mass2458.79
IUPAC Name(4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium
SMILESC=C(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1=CCc2ccccc21.O=C(OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H27O3S.C31H27O6S.C30H25O3S.C20H19O2S.C20H17O2S.C20H19OS/c35-34(33-31-17-9-7-15-29(31)30-16-8-10-18-32(30)33)37-24-23-36-25-19-21-28(22-20-25)38(26-11-3-1-4-12-26)27-13-5-2-6-14-27;1-18(2)29(32)36-27-23-17-24-26(31(34)37-28(24)27)25(23)30(33)35-19-13-15-22(16-14-19)38(20-9-5-3-6-10-20)21-11-7-4-8-12-21;31-30(29-20-15-23-9-7-8-14-28(23)29)33-22-21-32-24-16-18-27(19-17-24)34(25-10-3-1-4-11-25)26-12-5-2-6-13-26;1-21-16-22-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-16(21)22-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h1-22,33H,23-24H2;3-16,23-28H,1,17H2,2H3;1-14,16-20H,15,21-22H2;2-15H,16H2,1H3;2-15H,1H3;3-16H,2H2,1H3/q6*+1
InChIKeyHKWAGJGNHDHQTI-UHFFFAOYSA-N
XLogP33.50
TPSA203.95 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002461.16
LogP ≤ 533.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium?
The IUPAC name of (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium (CID 158509391) is (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium.
What is the SMILES notation for (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium?
The canonical SMILES for (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium is C=C(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1=CCc2ccccc21.O=C(OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium?
The InChIKey is HKWAGJGNHDHQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27O3S.C31H27O6S.C30H25O3S.C20H19O2S.C20H17O2S.C20H19OS/c35-34(33-31-17-9-7-15-29(31)30-16-8-10-18-32(30)33)37-24-23-36-25-19-21-28(22-20-25)38(26-11-3-1-4-12-26)27-13-5-2-6-14-27;1-18(2)29(32)36-27-23-17-24-26(31(34)37-28(24)27)25(23)30(33)35-19-13-15-22(16-14-19)38(20-9-5-3-6-10-20)21-11-7-4-8-12-21;31-30(29-20-15-23-9-7-8-14-28(23)29)33-22-21-32-24-16-18-27(19-17-24)34(25-10-3-1-4-11-25)26-12-5-2-6-13-26;1-21-16-22-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-16(21)22-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h1-22,33H,23-24H2;3-16,23-28H,1,17H2,2H3;1-14,16-20H,15,21-22H2;2-15H,16H2,1H3;2-15H,1H3;3-16H,2H2,1H3/q6*+1.
What are the key properties of (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium?
(4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium has a molecular weight of 2461.16 g/mol, XLogP of 33.50, 38 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxyphenyl)-diphenylsulfanium;(4-ethoxyphenyl)-diphenylsulfanium;[4-[2-(9H-fluorene-9-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3H-indene-1-carbonyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-(methoxymethoxy)phenyl]-diphenylsulfanium;[4-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyphenyl]-diphenylsulfanium is sourced from PubChem (CID 158509391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).