5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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

C52H76Br4O12Si4 — CID 10725129

IUPAC5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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
SMILESC[Si](C)(C)OCCCC1c2cc(c(O)c(Br)c2O)C(CCCO[Si](C)(C)C)c2cc(c(O)c(Br)c2O)C(CCCO[Si](C)(C)C)c2cc(c(O)c(Br)c2O)C(CCCO[Si](C)(C)C)c2cc1c(O)c(Br)c2O
InChIInChI=1S/C52H76Br4O12Si4/c1-69(2,3)65-21-13-17-29-33-25-35(47(59)41(53)45(33)57)30(18-14-22-66-70(4,5)6)37-27-39(51(63)43(55)49(37)61)32(20-16-24-68-72(10,11)12)40-28-38(50(62)44(56)52(40)64)31(19-15-23-67-71(7,8)9)36-26-34(29)46(58)42(54)48(36)60/h25-32,57-64H,13-24H2,1-12H3
InChIKeyGSRODPZZUSPQPD-UHFFFAOYSA-N
MW1325.13 g/mol
LogP15.75
Rot. Bonds20

About 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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

5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 10725129) has the molecular formula C52H76Br4O12Si4 and a molecular weight of 1325.13 g/mol. Its IUPAC name is 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 Name5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 CID10725129
Molecular FormulaC52H76Br4O12Si4
Molecular Weight1325.13 g/mol
Exact Mass1320.11
IUPAC Name5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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
SMILESC[Si](C)(C)OCCCC1c2cc(c(O)c(Br)c2O)C(CCCO[Si](C)(C)C)c2cc(c(O)c(Br)c2O)C(CCCO[Si](C)(C)C)c2cc(c(O)c(Br)c2O)C(CCCO[Si](C)(C)C)c2cc1c(O)c(Br)c2O
InChIInChI=1S/C52H76Br4O12Si4/c1-69(2,3)65-21-13-17-29-33-25-35(47(59)41(53)45(33)57)30(18-14-22-66-70(4,5)6)37-27-39(51(63)43(55)49(37)61)32(20-16-24-68-72(10,11)12)40-28-38(50(62)44(56)52(40)64)31(19-15-23-67-71(7,8)9)36-26-34(29)46(58)42(54)48(36)60/h25-32,57-64H,13-24H2,1-12H3
InChIKeyGSRODPZZUSPQPD-UHFFFAOYSA-N
XLogP15.75
TPSA198.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001325.13
LogP ≤ 515.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 10725129) is 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 C[Si](C)(C)OCCCC1c2cc(c(O)c(Br)c2O)C(CCCO[Si](C)(C)C)c2cc(c(O)c(Br)c2O)C(CCCO[Si](C)(C)C)c2cc(c(O)c(Br)c2O)C(CCCO[Si](C)(C)C)c2cc1c(O)c(Br)c2O.
What is the InChIKey of 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 GSRODPZZUSPQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H76Br4O12Si4/c1-69(2,3)65-21-13-17-29-33-25-35(47(59)41(53)45(33)57)30(18-14-22-66-70(4,5)6)37-27-39(51(63)43(55)49(37)61)32(20-16-24-68-72(10,11)12)40-28-38(50(62)44(56)52(40)64)31(19-15-23-67-71(7,8)9)36-26-34(29)46(58)42(54)48(36)60/h25-32,57-64H,13-24H2,1-12H3.
What are the key properties of 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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?
5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 1325.13 g/mol, XLogP of 15.75, 20 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)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 10725129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).