2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol

C64H64O8 — CID 121312077

IUPAC2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
SMILESCc1cc(C)c(C2c3cc(c(O)cc3O)C(c3cc(C)c(C)cc3C)c3cc(c(O)cc3O)C(c3cc(C)c(C)cc3C)c3cc(c(O)cc3O)C(c3cc(C)c(C)cc3C)c3cc2c(O)cc3O)cc1C
InChIInChI=1S/C64H64O8/c1-29-13-37(9)41(17-33(29)5)61-45-21-47(55(67)25-53(45)65)62(42-18-34(6)30(2)14-38(42)10)49-23-51(59(71)27-57(49)69)64(44-20-36(8)32(4)16-40(44)12)52-24-50(58(70)28-60(52)72)63(43-19-35(7)31(3)15-39(43)11)48-22-46(61)54(66)26-56(48)68/h13-28,61-72H,1-12H3
InChIKeyRZGDNDZXEDNWJP-UHFFFAOYSA-N
MW961.21 g/mol
LogP14.07
Rot. Bonds4

About 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol

2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol (PubChem CID 121312077) has the molecular formula C64H64O8 and a molecular weight of 961.21 g/mol. Its IUPAC name is 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol.

Molecular Properties

Compound Name2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
PubChem CID121312077
Molecular FormulaC64H64O8
Molecular Weight961.21 g/mol
Exact Mass960.46
IUPAC Name2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
SMILESCc1cc(C)c(C2c3cc(c(O)cc3O)C(c3cc(C)c(C)cc3C)c3cc(c(O)cc3O)C(c3cc(C)c(C)cc3C)c3cc(c(O)cc3O)C(c3cc(C)c(C)cc3C)c3cc2c(O)cc3O)cc1C
InChIInChI=1S/C64H64O8/c1-29-13-37(9)41(17-33(29)5)61-45-21-47(55(67)25-53(45)65)62(42-18-34(6)30(2)14-38(42)10)49-23-51(59(71)27-57(49)69)64(44-20-36(8)32(4)16-40(44)12)52-24-50(58(70)28-60(52)72)63(43-19-35(7)31(3)15-39(43)11)48-22-46(61)54(66)26-56(48)68/h13-28,61-72H,1-12H3
InChIKeyRZGDNDZXEDNWJP-UHFFFAOYSA-N
XLogP14.07
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.21
LogP ≤ 514.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol?
The IUPAC name of 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol (CID 121312077) is 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol.
What is the SMILES notation for 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol?
The canonical SMILES for 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol is Cc1cc(C)c(C2c3cc(c(O)cc3O)C(c3cc(C)c(C)cc3C)c3cc(c(O)cc3O)C(c3cc(C)c(C)cc3C)c3cc(c(O)cc3O)C(c3cc(C)c(C)cc3C)c3cc2c(O)cc3O)cc1C.
What is the InChIKey of 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol?
The InChIKey is RZGDNDZXEDNWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64O8/c1-29-13-37(9)41(17-33(29)5)61-45-21-47(55(67)25-53(45)65)62(42-18-34(6)30(2)14-38(42)10)49-23-51(59(71)27-57(49)69)64(44-20-36(8)32(4)16-40(44)12)52-24-50(58(70)28-60(52)72)63(43-19-35(7)31(3)15-39(43)11)48-22-46(61)54(66)26-56(48)68/h13-28,61-72H,1-12H3.
What are the key properties of 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol?
2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol has a molecular weight of 961.21 g/mol, XLogP of 14.07, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol is sourced from PubChem (CID 121312077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).