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

C60H52Br4O8 — CID 11137001

IUPAC5,11,17,23-tetrabromo-2,8,14,20-tetrakis(2-phenylethyl)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
SMILESOc1c2cc(c(O)c1Br)C(CCc1ccccc1)c1cc(c(O)c(Br)c1O)C(CCc1ccccc1)c1cc(c(O)c(Br)c1O)C(CCc1ccccc1)c1cc(c(O)c(Br)c1O)C2CCc1ccccc1
InChIInChI=1S/C60H52Br4O8/c61-49-53(65)41-29-43(55(49)67)38(26-22-34-15-7-2-8-16-34)45-31-47(59(71)51(63)57(45)69)40(28-24-36-19-11-4-12-20-36)48-32-46(58(70)52(64)60(48)72)39(27-23-35-17-9-3-10-18-35)44-30-42(54(66)50(62)56(44)68)37(41)25-21-33-13-5-1-6-14-33/h1-20,29-32,37-40,65-72H,21-28H2
InChIKeyLPMUCFWSPYTLIG-UHFFFAOYSA-N
MW1220.68 g/mol
LogP15.75
Rot. Bonds12

About 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(2-phenylethyl)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(2-phenylethyl)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 11137001) has the molecular formula C60H52Br4O8 and a molecular weight of 1220.68 g/mol. Its IUPAC name is 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(2-phenylethyl)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(2-phenylethyl)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 CID11137001
Molecular FormulaC60H52Br4O8
Molecular Weight1220.68 g/mol
Exact Mass1216.04
IUPAC Name5,11,17,23-tetrabromo-2,8,14,20-tetrakis(2-phenylethyl)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
SMILESOc1c2cc(c(O)c1Br)C(CCc1ccccc1)c1cc(c(O)c(Br)c1O)C(CCc1ccccc1)c1cc(c(O)c(Br)c1O)C(CCc1ccccc1)c1cc(c(O)c(Br)c1O)C2CCc1ccccc1
InChIInChI=1S/C60H52Br4O8/c61-49-53(65)41-29-43(55(49)67)38(26-22-34-15-7-2-8-16-34)45-31-47(59(71)51(63)57(45)69)40(28-24-36-19-11-4-12-20-36)48-32-46(58(70)52(64)60(48)72)39(27-23-35-17-9-3-10-18-35)44-30-42(54(66)50(62)56(44)68)37(41)25-21-33-13-5-1-6-14-33/h1-20,29-32,37-40,65-72H,21-28H2
InChIKeyLPMUCFWSPYTLIG-UHFFFAOYSA-N
XLogP15.75
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.68
LogP ≤ 515.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(2-phenylethyl)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(2-phenylethyl)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(2-phenylethyl)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 11137001) is 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(2-phenylethyl)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(2-phenylethyl)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(2-phenylethyl)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 Oc1c2cc(c(O)c1Br)C(CCc1ccccc1)c1cc(c(O)c(Br)c1O)C(CCc1ccccc1)c1cc(c(O)c(Br)c1O)C(CCc1ccccc1)c1cc(c(O)c(Br)c1O)C2CCc1ccccc1.
What is the InChIKey of 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(2-phenylethyl)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 LPMUCFWSPYTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52Br4O8/c61-49-53(65)41-29-43(55(49)67)38(26-22-34-15-7-2-8-16-34)45-31-47(59(71)51(63)57(45)69)40(28-24-36-19-11-4-12-20-36)48-32-46(58(70)52(64)60(48)72)39(27-23-35-17-9-3-10-18-35)44-30-42(54(66)50(62)56(44)68)37(41)25-21-33-13-5-1-6-14-33/h1-20,29-32,37-40,65-72H,21-28H2.
What are the key properties of 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(2-phenylethyl)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(2-phenylethyl)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 1220.68 g/mol, XLogP of 15.75, 12 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetrabromo-2,8,14,20-tetrakis(2-phenylethyl)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 11137001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).