bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate

C168H153O20S13+7 — CID 159362828

About bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate

bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate (PubChem CID 159362828) has the molecular formula C168H153O20S13+7 and a molecular weight of 2908.92 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate.

Molecular Properties

• Compound Name: bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate
• PubChem CID: 159362828
• Molecular Formula: C168H153O20S13+7
• Molecular Weight: 2908.92 g/mol
• Exact Mass: 2905.73
• IUPAC Name: bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate
• SMILES: C=C(C)C(=O)OCCCC(=O)Oc1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.C=C(C)C(=O)OCCOc1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.C=C(C)C(=O)OCCSc1ccc([S+](c2ccccc2)c2ccccc2)cc1.C=C(C)C(=O)Oc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.C=CC(=O)OCCOc1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.C=Cc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.CCC(=O)Oc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1
• InChI: InChI=1S/C34H41O4S.C24H21O5S2.C24H23O2S2.C23H19O5S2.C22H17O2S2.C21H17O2S2.C20H15S2/c1-24(2)32(36)37-23-9-10-31(35)38-27-15-21-30(22-16-27)39(28-17-11-25(12-18-28)33(3,4)5)29-19-13-26(14-20-29)34(6,7)8;1-17(2)24(25)29-16-15-28-18-11-13-19(14-12-18)30-20-7-3-5-9-22(20)31(26,27)23-10-6-4-8-21(23)30;1-19(2)24(25)26-17-18-27-20-13-15-23(16-14-20)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-2-23(24)28-16-15-27-17-11-13-18(14-12-17)29-19-7-3-5-9-21(19)30(25,26)22-10-6-4-8-20(22)29;1-15(2)22(23)24-16-11-13-17(14-12-16)26-20-9-5-3-7-18(20)25-19-8-4-6-10-21(19)26;1-2-21(22)23-15-11-13-16(14-12-15)25-19-9-5-3-7-17(19)24-18-8-4-6-10-20(18)25;1-2-15-11-13-16(14-12-15)22-19-9-5-3-7-17(19)21-18-8-4-6-10-20(18)22/h11-22H,1,9-10,23H2,2-8H3;3-14H,1,15-16H2,2H3;3-16H,1,17-18H2,2H3;2-14H,1,15-16H2;3-14H,1H2,2H3;3-14H,2H2,1H3;2-14H,1H2/q7*+1
• InChIKey: LITHFUNSZHBQIC-UHFFFAOYSA-N
• XLogP: 39.82
• TPSA: 270.84 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2908.92
LogP ≤ 5	39.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate?

The IUPAC name of bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate (CID 159362828) is bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate.

What is the SMILES notation for bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate?

The canonical SMILES for bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate is C=C(C)C(=O)OCCCC(=O)Oc1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.C=C(C)C(=O)OCCOc1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.C=C(C)C(=O)OCCSc1ccc([S+](c2ccccc2)c2ccccc2)cc1.C=C(C)C(=O)Oc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.C=CC(=O)OCCOc1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.C=Cc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.CCC(=O)Oc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.

What is the InChIKey of bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate?

The InChIKey is LITHFUNSZHBQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41O4S.C24H21O5S2.C24H23O2S2.C23H19O5S2.C22H17O2S2.C21H17O2S2.C20H15S2/c1-24(2)32(36)37-23-9-10-31(35)38-27-15-21-30(22-16-27)39(28-17-11-25(12-18-28)33(3,4)5)29-19-13-26(14-20-29)34(6,7)8;1-17(2)24(25)29-16-15-28-18-11-13-19(14-12-18)30-20-7-3-5-9-22(20)31(26,27)23-10-6-4-8-21(23)30;1-19(2)24(25)26-17-18-27-20-13-15-23(16-14-20)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-2-23(24)28-16-15-27-17-11-13-18(14-12-17)29-19-7-3-5-9-21(19)30(25,26)22-10-6-4-8-20(22)29;1-15(2)22(23)24-16-11-13-17(14-12-16)26-20-9-5-3-7-18(20)25-19-8-4-6-10-21(19)26;1-2-21(22)23-15-11-13-16(14-12-15)25-19-9-5-3-7-17(19)24-18-8-4-6-10-20(18)25;1-2-15-11-13-16(14-12-15)22-19-9-5-3-7-17(19)21-18-8-4-6-10-20(18)22/h11-22H,1,9-10,23H2,2-8H3;3-14H,1,15-16H2,2H3;3-16H,1,17-18H2,2H3;2-14H,1,15-16H2;3-14H,1H2,2H3;3-14H,2H2,1H3;2-14H,1H2/q7*+1.

What are the key properties of bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate?

bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate has a molecular weight of 2908.92 g/mol, XLogP of 39.82, 37 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butylphenyl)-[4-[4-(2-methylprop-2-enoyloxy)butanoyloxy]phenyl]sulfanium;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylprop-2-enoate;2-[4-(10,10-dioxothianthren-5-ium-5-yl)phenoxy]ethyl prop-2-enoate;5-(4-ethenylphenyl)thianthren-5-ium;[4-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]phenyl]-diphenylsulfanium;(4-thianthren-5-ium-5-ylphenyl) 2-methylprop-2-enoate;(4-thianthren-5-ium-5-ylphenyl) propanoate is sourced from PubChem (CID 159362828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).