2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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

C64H64O12 — CID 139201389

IUPAC2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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
SMILESCC(C)Oc1ccc(C2c3cc(c(O)cc3O)C(c3ccc(OC(C)C)cc3)c3cc(c(O)cc3O)C(c3ccc(OC(C)C)cc3)c3cc(c(O)cc3O)C(c3ccc(OC(C)C)cc3)c3cc2c(O)cc3O)cc1
InChIInChI=1S/C64H64O12/c1-33(2)73-41-17-9-37(10-18-41)61-45-25-47(55(67)29-53(45)65)62(38-11-19-42(20-12-38)74-34(3)4)49-27-51(59(71)31-57(49)69)64(40-15-23-44(24-16-40)76-36(7)8)52-28-50(58(70)32-60(52)72)63(48-26-46(61)54(66)30-56(48)68)39-13-21-43(22-14-39)75-35(5)6/h9-36,61-72H,1-8H3
InChIKeyMAXCBMAEZBURTQ-UHFFFAOYSA-N
MW1025.20 g/mol
LogP13.51
Rot. Bonds12

About 2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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(4-propan-2-yloxyphenyl)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 139201389) has the molecular formula C64H64O12 and a molecular weight of 1025.20 g/mol. Its IUPAC name is 2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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(4-propan-2-yloxyphenyl)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 CID139201389
Molecular FormulaC64H64O12
Molecular Weight1025.20 g/mol
Exact Mass1024.44
IUPAC Name2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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
SMILESCC(C)Oc1ccc(C2c3cc(c(O)cc3O)C(c3ccc(OC(C)C)cc3)c3cc(c(O)cc3O)C(c3ccc(OC(C)C)cc3)c3cc(c(O)cc3O)C(c3ccc(OC(C)C)cc3)c3cc2c(O)cc3O)cc1
InChIInChI=1S/C64H64O12/c1-33(2)73-41-17-9-37(10-18-41)61-45-25-47(55(67)29-53(45)65)62(38-11-19-42(20-12-38)74-34(3)4)49-27-51(59(71)31-57(49)69)64(40-15-23-44(24-16-40)76-36(7)8)52-28-50(58(70)32-60(52)72)63(48-26-46(61)54(66)30-56(48)68)39-13-21-43(22-14-39)75-35(5)6/h9-36,61-72H,1-8H3
InChIKeyMAXCBMAEZBURTQ-UHFFFAOYSA-N
XLogP13.51
TPSA198.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001025.20
LogP ≤ 513.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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(4-propan-2-yloxyphenyl)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(4-propan-2-yloxyphenyl)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 139201389) is 2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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(4-propan-2-yloxyphenyl)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(4-propan-2-yloxyphenyl)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 CC(C)Oc1ccc(C2c3cc(c(O)cc3O)C(c3ccc(OC(C)C)cc3)c3cc(c(O)cc3O)C(c3ccc(OC(C)C)cc3)c3cc(c(O)cc3O)C(c3ccc(OC(C)C)cc3)c3cc2c(O)cc3O)cc1.
What is the InChIKey of 2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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 MAXCBMAEZBURTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64O12/c1-33(2)73-41-17-9-37(10-18-41)61-45-25-47(55(67)29-53(45)65)62(38-11-19-42(20-12-38)74-34(3)4)49-27-51(59(71)31-57(49)69)64(40-15-23-44(24-16-40)76-36(7)8)52-28-50(58(70)32-60(52)72)63(48-26-46(61)54(66)30-56(48)68)39-13-21-43(22-14-39)75-35(5)6/h9-36,61-72H,1-8H3.
What are the key properties of 2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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(4-propan-2-yloxyphenyl)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 1025.20 g/mol, XLogP of 13.51, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)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 139201389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).