2,8,14,20-tetrakis(3,4-dimethylphenyl)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

C60H56O8 — CID 121275263

IUPAC2,8,14,20-tetrakis(3,4-dimethylphenyl)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
SMILESCc1ccc(C2c3cc(c(O)cc3O)C(c3ccc(C)c(C)c3)c3cc(c(O)cc3O)C(c3ccc(C)c(C)c3)c3cc(c(O)cc3O)C(c3ccc(C)c(C)c3)c3cc2c(O)cc3O)cc1C
InChIInChI=1S/C60H56O8/c1-29-9-13-37(17-33(29)5)57-41-21-43(51(63)25-49(41)61)58(38-14-10-30(2)34(6)18-38)45-23-47(55(67)27-53(45)65)60(40-16-12-32(4)36(8)20-40)48-24-46(54(66)28-56(48)68)59(39-15-11-31(3)35(7)19-39)44-22-42(57)50(62)26-52(44)64/h9-28,57-68H,1-8H3
InChIKeyWUKBCXQWEVXXLI-UHFFFAOYSA-N
MW905.10 g/mol
LogP12.83
Rot. Bonds4

About 2,8,14,20-tetrakis(3,4-dimethylphenyl)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(3,4-dimethylphenyl)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 121275263) has the molecular formula C60H56O8 and a molecular weight of 905.10 g/mol. Its IUPAC name is 2,8,14,20-tetrakis(3,4-dimethylphenyl)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(3,4-dimethylphenyl)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 CID121275263
Molecular FormulaC60H56O8
Molecular Weight905.10 g/mol
Exact Mass904.40
IUPAC Name2,8,14,20-tetrakis(3,4-dimethylphenyl)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
SMILESCc1ccc(C2c3cc(c(O)cc3O)C(c3ccc(C)c(C)c3)c3cc(c(O)cc3O)C(c3ccc(C)c(C)c3)c3cc(c(O)cc3O)C(c3ccc(C)c(C)c3)c3cc2c(O)cc3O)cc1C
InChIInChI=1S/C60H56O8/c1-29-9-13-37(17-33(29)5)57-41-21-43(51(63)25-49(41)61)58(38-14-10-30(2)34(6)18-38)45-23-47(55(67)27-53(45)65)60(40-16-12-32(4)36(8)20-40)48-24-46(54(66)28-56(48)68)59(39-15-11-31(3)35(7)19-39)44-22-42(57)50(62)26-52(44)64/h9-28,57-68H,1-8H3
InChIKeyWUKBCXQWEVXXLI-UHFFFAOYSA-N
XLogP12.83
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.10
LogP ≤ 512.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2,8,14,20-tetrakis(3,4-dimethylphenyl)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(3,4-dimethylphenyl)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(3,4-dimethylphenyl)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 121275263) is 2,8,14,20-tetrakis(3,4-dimethylphenyl)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(3,4-dimethylphenyl)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(3,4-dimethylphenyl)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 Cc1ccc(C2c3cc(c(O)cc3O)C(c3ccc(C)c(C)c3)c3cc(c(O)cc3O)C(c3ccc(C)c(C)c3)c3cc(c(O)cc3O)C(c3ccc(C)c(C)c3)c3cc2c(O)cc3O)cc1C.
What is the InChIKey of 2,8,14,20-tetrakis(3,4-dimethylphenyl)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 WUKBCXQWEVXXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56O8/c1-29-9-13-37(17-33(29)5)57-41-21-43(51(63)25-49(41)61)58(38-14-10-30(2)34(6)18-38)45-23-47(55(67)27-53(45)65)60(40-16-12-32(4)36(8)20-40)48-24-46(54(66)28-56(48)68)59(39-15-11-31(3)35(7)19-39)44-22-42(57)50(62)26-52(44)64/h9-28,57-68H,1-8H3.
What are the key properties of 2,8,14,20-tetrakis(3,4-dimethylphenyl)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(3,4-dimethylphenyl)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 905.10 g/mol, XLogP of 12.83, 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(3,4-dimethylphenyl)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 121275263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).