5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol

C78H92O6 — CID 53304249

About 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol

5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol (PubChem CID 53304249) has the molecular formula C78H92O6 and a molecular weight of 1125.59 g/mol. Its IUPAC name is 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol.

Molecular Properties

• Compound Name: 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol
• PubChem CID: 53304249
• Molecular Formula: C78H92O6
• Molecular Weight: 1125.59 g/mol
• Exact Mass: 1124.69
• IUPAC Name: 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol
• SMILES: COc1c2cc(C(C)(C)C)cc1C(O)(c1ccccc1)c1cc(C(C)(C)C)cc(c1OC)C(c1c(C)cc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(O)(c1ccccc1)c1cc(C(C)(C)C)cc(c1OC)C2c1c(C)cc(C)cc1C
• InChI: InChI=1S/C78H92O6/c1-45-33-47(3)65(48(4)34-45)67-57-37-53(73(7,8)9)41-61(69(57)81-19)77(79,51-29-25-23-26-30-51)63-43-55(75(13,14)15)39-59(71(63)83-21)68(66-49(5)35-46(2)36-50(66)6)60-40-56(76(16,17)18)44-64(72(60)84-22)78(80,52-31-27-24-28-32-52)62-42-54(74(10,11)12)38-58(67)70(62)82-20/h23-44,67-68,79-80H,1-22H3
• InChIKey: TZJYFWRJHOVNPM-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1125.59
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol?

The IUPAC name of 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol (CID 53304249) is 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol.

What is the SMILES notation for 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol?

The canonical SMILES for 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol is COc1c2cc(C(C)(C)C)cc1C(O)(c1ccccc1)c1cc(C(C)(C)C)cc(c1OC)C(c1c(C)cc(C)cc1C)c1cc(C(C)(C)C)cc(c1OC)C(O)(c1ccccc1)c1cc(C(C)(C)C)cc(c1OC)C2c1c(C)cc(C)cc1C.

What is the InChIKey of 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol?

The InChIKey is TZJYFWRJHOVNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H92O6/c1-45-33-47(3)65(48(4)34-45)67-57-37-53(73(7,8)9)41-61(69(57)81-19)77(79,51-29-25-23-26-30-51)63-43-55(75(13,14)15)39-59(71(63)83-21)68(66-49(5)35-46(2)36-50(66)6)60-40-56(76(16,17)18)44-64(72(60)84-22)78(80,52-31-27-24-28-32-52)62-42-54(74(10,11)12)38-58(67)70(62)82-20/h23-44,67-68,79-80H,1-22H3.

What are the key properties of 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol?

5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol has a molecular weight of 1125.59 g/mol, XLogP of 18.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol is sourced from PubChem (CID 53304249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).