10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate

C191H150O26 — CID 163895510

About 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate

10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate (PubChem CID 163895510) has the molecular formula C191H150O26 and a molecular weight of 2861.27 g/mol. Its IUPAC name is 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate.

Molecular Properties

• Compound Name: 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate
• PubChem CID: 163895510
• Molecular Formula: C191H150O26
• Molecular Weight: 2861.27 g/mol
• Exact Mass: 2859.04
• IUPAC Name: 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate
• SMILES: COc1ccc(/C=C/c2cc3ccccc3c3c2OCOc2c(/C=C/c4ccc(OC)cc4)cc4ccccc4c2-3)cc1.COc1ccc(/C=C/c2cc3ccccc3c3c2oc(=O)c2ccccc2c(=O)oc2c(/C=C/c4ccc(OC)cc4)cc4ccccc4c23)cc1.COc1ccc(C(=O)OC2CCC(/C=C/c3cc4ccccc4c4c3OCOc3c(/C=C/C5CCC(OC(=O)c6ccc(OC)cc6)CC5)cc5ccccc5c3-4)CC2)cc1.COc1ccc(C(=O)Oc2ccc(/C=C/c3cc4ccccc4c4c3OCOc3c(/C=C/c5ccc(OC(=O)c6ccc(OC)cc6)cc5)cc5ccccc5c3-4)cc2)cc1
• InChI: InChI=1S/C53H50O8.C53H38O8.C46H32O6.C39H30O4/c2*1-56-42-27-19-36(20-28-42)52(54)60-44-23-13-34(14-24-44)11-17-40-31-38-7-3-5-9-46(38)48-49-47-10-6-4-8-39(47)32-41(51(49)59-33-58-50(40)48)18-12-35-15-25-45(26-16-35)61-53(55)37-21-29-43(57-2)30-22-37;1-49-35-23-17-29(18-24-35)15-21-33-27-31-9-3-5-11-37(31)41-42-38-12-6-4-10-32(38)28-34(22-16-30-19-25-36(50-2)26-20-30)44(42)52-46(48)40-14-8-7-13-39(40)45(47)51-43(33)41;1-40-32-19-13-26(14-20-32)11-17-30-23-28-7-3-5-9-34(28)36-37-35-10-6-4-8-29(35)24-31(39(37)43-25-42-38(30)36)18-12-27-15-21-33(41-2)22-16-27/h3-12,17-22,27-32,34-35,44-45H,13-16,23-26,33H2,1-2H3;3-32H,33H2,1-2H3;3-28H,1-2H3;3-24H,25H2,1-2H3/b2*17-11+,18-12+;21-15+,22-16+;17-11+,18-12+
• InChIKey: QFFYLSHLEUDCDD-NLDMTXLZSA-N
• XLogP: 45.04
• TPSA: 294.84 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2861.27
LogP ≤ 5	45.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate?

The IUPAC name of 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate (CID 163895510) is 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate.

What is the SMILES notation for 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate?

The canonical SMILES for 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate is COc1ccc(/C=C/c2cc3ccccc3c3c2OCOc2c(/C=C/c4ccc(OC)cc4)cc4ccccc4c2-3)cc1.COc1ccc(/C=C/c2cc3ccccc3c3c2oc(=O)c2ccccc2c(=O)oc2c(/C=C/c4ccc(OC)cc4)cc4ccccc4c23)cc1.COc1ccc(C(=O)OC2CCC(/C=C/c3cc4ccccc4c4c3OCOc3c(/C=C/C5CCC(OC(=O)c6ccc(OC)cc6)CC5)cc5ccccc5c3-4)CC2)cc1.COc1ccc(C(=O)Oc2ccc(/C=C/c3cc4ccccc4c4c3OCOc3c(/C=C/c5ccc(OC(=O)c6ccc(OC)cc6)cc5)cc5ccccc5c3-4)cc2)cc1.

What is the InChIKey of 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate?

The InChIKey is QFFYLSHLEUDCDD-NLDMTXLZSA-N. The full InChI is InChI=1S/C53H50O8.C53H38O8.C46H32O6.C39H30O4/c2*1-56-42-27-19-36(20-28-42)52(54)60-44-23-13-34(14-24-44)11-17-40-31-38-7-3-5-9-46(38)48-49-47-10-6-4-8-39(47)32-41(51(49)59-33-58-50(40)48)18-12-35-15-25-45(26-16-35)61-53(55)37-21-29-43(57-2)30-22-37;1-49-35-23-17-29(18-24-35)15-21-33-27-31-9-3-5-11-37(31)41-42-38-12-6-4-10-32(38)28-34(22-16-30-19-25-36(50-2)26-20-30)44(42)52-46(48)40-14-8-7-13-39(40)45(47)51-43(33)41;1-40-32-19-13-26(14-20-32)11-17-30-23-28-7-3-5-9-34(28)36-37-35-10-6-4-8-29(35)24-31(39(37)43-25-42-38(30)36)18-12-27-15-21-33(41-2)22-16-27/h3-12,17-22,27-32,34-35,44-45H,13-16,23-26,33H2,1-2H3;3-32H,33H2,1-2H3;3-28H,1-2H3;3-24H,25H2,1-2H3/b2*17-11+,18-12+;21-15+,22-16+;17-11+,18-12+.

What are the key properties of 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate?

10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate has a molecular weight of 2861.27 g/mol, XLogP of 45.04, 32 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 10,23-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3,5,7,9,14,16,18,23,25,27,29-tridecaene-13,20-dione;10,16-bis[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxycyclohexyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]cyclohexyl] 4-methoxybenzoate;[4-[(E)-2-[16-[(E)-2-[4-(4-methoxybenzoyl)oxyphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 163895510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).