10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol

C126H111NO13 — CID 159844568

About 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol

10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol (PubChem CID 159844568) has the molecular formula C126H111NO13 and a molecular weight of 1847.27 g/mol. Its IUPAC name is 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol.

Molecular Properties

• Compound Name: 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol
• PubChem CID: 159844568
• Molecular Formula: C126H111NO13
• Molecular Weight: 1847.27 g/mol
• Exact Mass: 1845.81
• IUPAC Name: 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol
• SMILES: COc1ccc(C2(c3ccc(OC)c(N4CCOCC4)c3)C=Cc3c4c(c5cc(-c6ccc(C)cc6)c(OC)cc5c3O2)-c2ccccc2C42CC3CCC2C3)cc1.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(C)c(OC)cc5c3O2)-c2ccccc2C4(C)C)cc1.COc1ccc(C2(c3ccccc3)C=Cc3c4c(c5cc6c(cc5c3O2)OCC6)-c2ccccc2C4(C)O)cc1
• InChI: InChI=1S/C52H49NO5.C38H34O4.C36H28O4/c1-32-9-12-34(13-10-32)41-29-42-43(30-47(41)56-4)50-40(49-48(42)39-7-5-6-8-44(39)51(49)31-33-11-14-36(51)27-33)21-22-52(58-50,35-15-18-38(54-2)19-16-35)37-17-20-46(55-3)45(28-37)53-23-25-57-26-24-53;1-23-21-30-31(22-33(23)41-6)36-29(35-34(30)28-9-7-8-10-32(28)37(35,2)3)19-20-38(42-36,24-11-15-26(39-4)16-12-24)25-13-17-27(40-5)18-14-25;1-35(37)30-11-7-6-10-26(30)32-28-20-22-17-19-39-31(22)21-29(28)34-27(33(32)35)16-18-36(40-34,23-8-4-3-5-9-23)24-12-14-25(38-2)15-13-24/h5-10,12-13,15-22,28-30,33,36H,11,14,23-27,31H2,1-4H3;7-22H,1-6H3;3-16,18,20-21,37H,17,19H2,1-2H3
• InChIKey: NPDAANZEGZOKFN-UHFFFAOYSA-N
• XLogP: 27.31
• TPSA: 134.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.27
LogP ≤ 5	27.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol?

The IUPAC name of 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol (CID 159844568) is 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol.

What is the SMILES notation for 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol?

The canonical SMILES for 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol is COc1ccc(C2(c3ccc(OC)c(N4CCOCC4)c3)C=Cc3c4c(c5cc(-c6ccc(C)cc6)c(OC)cc5c3O2)-c2ccccc2C42CC3CCC2C3)cc1.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(C)c(OC)cc5c3O2)-c2ccccc2C4(C)C)cc1.COc1ccc(C2(c3ccccc3)C=Cc3c4c(c5cc6c(cc5c3O2)OCC6)-c2ccccc2C4(C)O)cc1.

What is the InChIKey of 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol?

The InChIKey is NPDAANZEGZOKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H49NO5.C38H34O4.C36H28O4/c1-32-9-12-34(13-10-32)41-29-42-43(30-47(41)56-4)50-40(49-48(42)39-7-5-6-8-44(39)51(49)31-33-11-14-36(51)27-33)21-22-52(58-50,35-15-18-38(54-2)19-16-35)37-17-20-46(55-3)45(28-37)53-23-25-57-26-24-53;1-23-21-30-31(22-33(23)41-6)36-29(35-34(30)28-9-7-8-10-32(28)37(35,2)3)19-20-38(42-36,24-11-15-26(39-4)16-12-24)25-13-17-27(40-5)18-14-25;1-35(37)30-11-7-6-10-26(30)32-28-20-22-17-19-39-31(22)21-29(28)34-27(33(32)35)16-18-36(40-34,23-8-4-3-5-9-23)24-12-14-25(38-2)15-13-24/h5-10,12-13,15-22,28-30,33,36H,11,14,23-27,31H2,1-4H3;7-22H,1-6H3;3-16,18,20-21,37H,17,19H2,1-2H3.

What are the key properties of 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol?

10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol has a molecular weight of 1847.27 g/mol, XLogP of 27.31, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methoxy-5,5-bis(4-methoxyphenyl)-11,21,21-trimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene;4-[2-methoxy-5-[10-methoxy-5-(4-methoxyphenyl)-11-(4-methylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl]phenyl]morpholine;14-(4-methoxyphenyl)-9-methyl-14-phenyl-15,20-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,23]tetracosa-1(17),2(10),3,5,7,11(16),12,18,23-nonaen-9-ol is sourced from PubChem (CID 159844568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).