2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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

C56H44Br4O12 — CID 86575879

IUPAC2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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
SMILESCc1c(O)c2cc(c1O)C(c1cc(Br)ccc1O)c1cc(c(O)c(C)c1O)C(c1cc(Br)ccc1O)c1cc(c(O)c(C)c1O)C(c1cc(Br)ccc1O)c1cc(c(O)c(C)c1O)C2c1cc(Br)ccc1O
InChIInChI=1S/C56H44Br4O12/c1-21-49(65)33-17-34(50(21)66)46(30-14-26(58)6-10-42(30)62)36-19-38(54(70)23(3)52(36)68)48(32-16-28(60)8-12-44(32)64)40-20-39(55(71)24(4)56(40)72)47(31-15-27(59)7-11-43(31)63)37-18-35(51(67)22(2)53(37)69)45(33)29-13-25(57)5-9-41(29)61/h5-20,45-48,61-72H,1-4H3
InChIKeyDGCCLBWIWBRCFG-UHFFFAOYSA-N
MW1228.57 g/mol
LogP13.47
Rot. Bonds4

About 2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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 86575879) has the molecular formula C56H44Br4O12 and a molecular weight of 1228.57 g/mol. Its IUPAC name is 2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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 CID86575879
Molecular FormulaC56H44Br4O12
Molecular Weight1228.57 g/mol
Exact Mass1223.96
IUPAC Name2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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
SMILESCc1c(O)c2cc(c1O)C(c1cc(Br)ccc1O)c1cc(c(O)c(C)c1O)C(c1cc(Br)ccc1O)c1cc(c(O)c(C)c1O)C(c1cc(Br)ccc1O)c1cc(c(O)c(C)c1O)C2c1cc(Br)ccc1O
InChIInChI=1S/C56H44Br4O12/c1-21-49(65)33-17-34(50(21)66)46(30-14-26(58)6-10-42(30)62)36-19-38(54(70)23(3)52(36)68)48(32-16-28(60)8-12-44(32)64)40-20-39(55(71)24(4)56(40)72)47(31-15-27(59)7-11-43(31)63)37-18-35(51(67)22(2)53(37)69)45(33)29-13-25(57)5-9-41(29)61/h5-20,45-48,61-72H,1-4H3
InChIKeyDGCCLBWIWBRCFG-UHFFFAOYSA-N
XLogP13.47
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001228.57
LogP ≤ 513.47
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Analyze 2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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 86575879) is 2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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 Cc1c(O)c2cc(c1O)C(c1cc(Br)ccc1O)c1cc(c(O)c(C)c1O)C(c1cc(Br)ccc1O)c1cc(c(O)c(C)c1O)C(c1cc(Br)ccc1O)c1cc(c(O)c(C)c1O)C2c1cc(Br)ccc1O.
What is the InChIKey of 2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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 DGCCLBWIWBRCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44Br4O12/c1-21-49(65)33-17-34(50(21)66)46(30-14-26(58)6-10-42(30)62)36-19-38(54(70)23(3)52(36)68)48(32-16-28(60)8-12-44(32)64)40-20-39(55(71)24(4)56(40)72)47(31-15-27(59)7-11-43(31)63)37-18-35(51(67)22(2)53(37)69)45(33)29-13-25(57)5-9-41(29)61/h5-20,45-48,61-72H,1-4H3.
What are the key properties of 2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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 1228.57 g/mol, XLogP of 13.47, 4 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,14,20-tetrakis(5-bromo-2-hydroxyphenyl)-5,11,17,23-tetramethylpentacyclo[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 86575879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).