[4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione

C251H240F6O14S9 — CID 158243160

About [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione

[4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione (PubChem CID 158243160) has the molecular formula C251H240F6O14S9 and a molecular weight of 3883.26 g/mol. Its IUPAC name is [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione.

Molecular Properties

• Compound Name: [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione
• PubChem CID: 158243160
• Molecular Formula: C251H240F6O14S9
• Molecular Weight: 3883.26 g/mol
• Exact Mass: 3879.55
• IUPAC Name: [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione
• SMILES: CCCC1CCC(c2ccc(C#Cc3ccc(Sc4cccc5c4C(=O)c4cccc(Sc6ccc(C(C)(C)C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C3CCC(c4ccc(-c5ccc(Sc6cccc7c6C(=O)c6cccc(Sc8cccc(C(F)(F)F)c8)c6C7=O)cc5)cc4)CC3)cc2)CC1.CCCCCCC(=O)OC1CCC(c2ccc(CCc3ccc(Sc4cccc5c4C(=O)c4cccc(Sc6ccc(C(C)(C)C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCCC1CCC(c2ccc(/C=C/c3ccc(Sc4cccc5c4C(=O)c4cccc(Sc6ccc(C(C)(C)C)cc6)c4C5=O)cc3)cc2)CC1.CCOc1ccc(C2CCC(c3ccc(-c4ccc(Oc5cccc6c5C(=O)c5cccc(Sc7cccc(C(F)(F)F)c7)c5C6=O)cc4)cc3)CC2)cc1
• InChI: InChI=1S/C56H53F3O2S2.C51H54O4S2.C50H52O2S2.C47H37F3O4S.C47H44O2S2/c1-2-3-4-8-36-15-17-37(18-16-36)38-19-21-39(22-20-38)40-23-25-41(26-24-40)42-27-29-43(30-28-42)44-31-33-46(34-32-44)62-50-13-6-11-48-52(50)54(60)49-12-7-14-51(53(49)55(48)61)63-47-10-5-9-45(35-47)56(57,58)59;1-5-6-7-8-15-46(52)55-39-28-24-37(25-29-39)36-22-18-34(19-23-36)16-17-35-20-30-40(31-21-35)56-44-13-9-11-42-47(44)49(53)43-12-10-14-45(48(43)50(42)54)57-41-32-26-38(27-33-41)51(2,3)4;1-5-6-7-8-11-34-18-24-37(25-19-34)38-26-20-35(21-27-38)16-17-36-22-30-40(31-23-36)53-44-14-9-12-42-46(44)48(51)43-13-10-15-45(47(43)49(42)52)54-41-32-28-39(29-33-41)50(2,3)4;1-2-53-36-24-20-33(21-25-36)31-16-12-29(13-17-31)30-14-18-32(19-15-30)34-22-26-37(27-23-34)54-41-10-4-8-39-43(41)45(51)40-9-5-11-42(44(40)46(39)52)55-38-7-3-6-35(28-38)47(48,49)50;1-5-8-31-15-21-34(22-16-31)35-23-17-32(18-24-35)13-14-33-19-27-37(28-20-33)50-41-11-6-9-39-43(41)45(48)40-10-7-12-42(44(40)46(39)49)51-38-29-25-36(26-30-38)47(2,3)4/h5-7,9-14,19-22,27-37,40-41H,2-4,8,15-18,23-26H2,1H3;9-14,18-23,26-27,30-33,37,39H,5-8,15-17,24-25,28-29H2,1-4H3;9-10,12-17,20-23,26-34,37H,5-8,11,18-19,24-25H2,1-4H3;3-11,14-15,18-29,31H,2,12-13,16-17H2,1H3;6-7,9-12,17-20,23-31,34H,5,8,15-16,21-22H2,1-4H3/b;;17-16+
• InChIKey: GFUKYKFPJPLNLR-NCAGBYRDSA-N
• XLogP: 70.08
• TPSA: 215.46 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 54
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3883.26
LogP ≤ 5	70.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione?

The IUPAC name of [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione (CID 158243160) is [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione.

What is the SMILES notation for [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione?

The canonical SMILES for [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione is CCCC1CCC(c2ccc(C#Cc3ccc(Sc4cccc5c4C(=O)c4cccc(Sc6ccc(C(C)(C)C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C3CCC(c4ccc(-c5ccc(Sc6cccc7c6C(=O)c6cccc(Sc8cccc(C(F)(F)F)c8)c6C7=O)cc5)cc4)CC3)cc2)CC1.CCCCCCC(=O)OC1CCC(c2ccc(CCc3ccc(Sc4cccc5c4C(=O)c4cccc(Sc6ccc(C(C)(C)C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCCC1CCC(c2ccc(/C=C/c3ccc(Sc4cccc5c4C(=O)c4cccc(Sc6ccc(C(C)(C)C)cc6)c4C5=O)cc3)cc2)CC1.CCOc1ccc(C2CCC(c3ccc(-c4ccc(Oc5cccc6c5C(=O)c5cccc(Sc7cccc(C(F)(F)F)c7)c5C6=O)cc4)cc3)CC2)cc1.

What is the InChIKey of [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione?

The InChIKey is GFUKYKFPJPLNLR-NCAGBYRDSA-N. The full InChI is InChI=1S/C56H53F3O2S2.C51H54O4S2.C50H52O2S2.C47H37F3O4S.C47H44O2S2/c1-2-3-4-8-36-15-17-37(18-16-36)38-19-21-39(22-20-38)40-23-25-41(26-24-40)42-27-29-43(30-28-42)44-31-33-46(34-32-44)62-50-13-6-11-48-52(50)54(60)49-12-7-14-51(53(49)55(48)61)63-47-10-5-9-45(35-47)56(57,58)59;1-5-6-7-8-15-46(52)55-39-28-24-37(25-29-39)36-22-18-34(19-23-36)16-17-35-20-30-40(31-21-35)56-44-13-9-11-42-47(44)49(53)43-12-10-14-45(48(43)50(42)54)57-41-32-26-38(27-33-41)51(2,3)4;1-5-6-7-8-11-34-18-24-37(25-19-34)38-26-20-35(21-27-38)16-17-36-22-30-40(31-23-36)53-44-14-9-12-42-46(44)48(51)43-13-10-15-45(47(43)49(42)52)54-41-32-28-39(29-33-41)50(2,3)4;1-2-53-36-24-20-33(21-25-36)31-16-12-29(13-17-31)30-14-18-32(19-15-30)34-22-26-37(27-23-34)54-41-10-4-8-39-43(41)45(51)40-9-5-11-42(44(40)46(39)52)55-38-7-3-6-35(28-38)47(48,49)50;1-5-8-31-15-21-34(22-16-31)35-23-17-32(18-24-35)13-14-33-19-27-37(28-20-33)50-41-11-6-9-39-43(41)45(48)40-10-7-12-42(44(40)46(39)49)51-38-29-25-36(26-30-38)47(2,3)4/h5-7,9-14,19-22,27-37,40-41H,2-4,8,15-18,23-26H2,1H3;9-14,18-23,26-27,30-33,37,39H,5-8,15-17,24-25,28-29H2,1-4H3;9-10,12-17,20-23,26-34,37H,5-8,11,18-19,24-25H2,1-4H3;3-11,14-15,18-29,31H,2,12-13,16-17H2,1H3;6-7,9-12,17-20,23-31,34H,5,8,15-16,21-22H2,1-4H3/b;;17-16+;;.

What are the key properties of [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione?

[4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione has a molecular weight of 3883.26 g/mol, XLogP of 70.08, 54 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-[4-[5-(4-tert-butylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]ethyl]phenyl]cyclohexyl] heptanoate;1-(4-tert-butylphenyl)sulfanyl-5-[4-[(E)-2-[4-(4-hexylcyclohexyl)phenyl]ethenyl]phenyl]sulfanylanthracene-9,10-dione;1-(4-tert-butylphenyl)sulfanyl-5-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-(4-ethoxyphenyl)cyclohexyl]phenyl]phenoxy]-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione;1-[4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]phenyl]phenyl]sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione is sourced from PubChem (CID 158243160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).