6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone

C62H74N2O8 — CID 152771963

About 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone

6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone (PubChem CID 152771963) has the molecular formula C62H74N2O8 and a molecular weight of 975.28 g/mol. Its IUPAC name is 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone.

Molecular Properties

• Compound Name: 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone
• PubChem CID: 152771963
• Molecular Formula: C62H74N2O8
• Molecular Weight: 975.28 g/mol
• Exact Mass: 974.54
• IUPAC Name: 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone
• SMILES: C=CC1C=C(C)C2C3C(Oc4ccc(cc4)CC45NC(=O)C(C(=O)C13)C4C13C(=O)NC(O)(Cc4ccc(cc4)OC4C6C(C1=O)C(C=C)C=C(C)C6C1(C)CC(C)CC(C)C41)C3O5)C1C(C)CC(C)CC21C
• InChI: InChI=1S/C62H74N2O8/c1-11-37-23-33(7)46-43-41(37)50(65)45-53-61(63-55(45)67,28-36-15-19-40(20-16-36)70-51(43)48-31(5)21-29(3)25-58(46,48)9)72-56-60(69)27-35-13-17-39(18-14-35)71-52-44-42(54(66)62(53,56)57(68)64-60)38(12-2)24-34(8)47(44)59(10)26-30(4)22-32(6)49(52)59/h11-20,23-24,29-32,37-38,41-49,51-53,56,69H,1-2,21-22,25-28H2,3-10H3,(H,63,67)(H,64,68)
• InChIKey: USIOTJYGSCEEAY-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 140.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.28
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone?

The IUPAC name of 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone (CID 152771963) is 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone.

What is the SMILES notation for 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone?

The canonical SMILES for 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone is C=CC1C=C(C)C2C3C(Oc4ccc(cc4)CC45NC(=O)C(C(=O)C13)C4C13C(=O)NC(O)(Cc4ccc(cc4)OC4C6C(C1=O)C(C=C)C=C(C)C6C1(C)CC(C)CC(C)C41)C3O5)C1C(C)CC(C)CC21C.

What is the InChIKey of 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone?

The InChIKey is USIOTJYGSCEEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H74N2O8/c1-11-37-23-33(7)46-43-41(37)50(65)45-53-61(63-55(45)67,28-36-15-19-40(20-16-36)70-51(43)48-31(5)21-29(3)25-58(46,48)9)72-56-60(69)27-35-13-17-39(18-14-35)71-52-44-42(54(66)62(53,56)57(68)64-60)38(12-2)24-34(8)47(44)59(10)26-30(4)22-32(6)49(52)59/h11-20,23-24,29-32,37-38,41-49,51-53,56,69H,1-2,21-22,25-28H2,3-10H3,(H,63,67)(H,64,68).

What are the key properties of 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone?

6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone has a molecular weight of 975.28 g/mol, XLogP of 9.02, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone is sourced from PubChem (CID 152771963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).