5,11,17,23-tetrabromo-2,8,14,20-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

C32H28Br4O8 — CID 2825122

IUPAC5,11,17,23-tetrabromo-2,8,14,20-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
SMILESCC1c2cc(c(O)c(Br)c2O)C(C)c2cc(c(O)c(Br)c2O)C(C)c2cc(c(O)c(Br)c2O)C(C)c2cc1c(O)c(Br)c2O
InChIInChI=1S/C32H28Br4O8/c1-9-13-5-15(27(39)21(33)25(13)37)10(2)17-7-19(31(43)23(35)29(17)41)12(4)20-8-18(30(42)24(36)32(20)44)11(3)16-6-14(9)26(38)22(34)28(16)40/h5-12,37-44H,1-4H3
InChIKeyGIKSBRYWPGDNPF-UHFFFAOYSA-N
MW860.18 g/mol
LogP9.30
Rot. Bonds

About 5,11,17,23-tetrabromo-2,8,14,20-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

5,11,17,23-tetrabromo-2,8,14,20-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 2825122) has the molecular formula C32H28Br4O8 and a molecular weight of 860.18 g/mol. Its IUPAC name is 5,11,17,23-tetrabromo-2,8,14,20-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 Name5,11,17,23-tetrabromo-2,8,14,20-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 CID2825122
Molecular FormulaC32H28Br4O8
Molecular Weight860.18 g/mol
Exact Mass855.85
IUPAC Name5,11,17,23-tetrabromo-2,8,14,20-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
SMILESCC1c2cc(c(O)c(Br)c2O)C(C)c2cc(c(O)c(Br)c2O)C(C)c2cc(c(O)c(Br)c2O)C(C)c2cc1c(O)c(Br)c2O
InChIInChI=1S/C32H28Br4O8/c1-9-13-5-15(27(39)21(33)25(13)37)10(2)17-7-19(31(43)23(35)29(17)41)12(4)20-8-18(30(42)24(36)32(20)44)11(3)16-6-14(9)26(38)22(34)28(16)40/h5-12,37-44H,1-4H3
InChIKeyGIKSBRYWPGDNPF-UHFFFAOYSA-N
XLogP9.30
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.18
LogP ≤ 59.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 5,11,17,23-tetrabromo-2,8,14,20-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 5,11,17,23-tetrabromo-2,8,14,20-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 5,11,17,23-tetrabromo-2,8,14,20-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 2825122) is 5,11,17,23-tetrabromo-2,8,14,20-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 5,11,17,23-tetrabromo-2,8,14,20-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 5,11,17,23-tetrabromo-2,8,14,20-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 CC1c2cc(c(O)c(Br)c2O)C(C)c2cc(c(O)c(Br)c2O)C(C)c2cc(c(O)c(Br)c2O)C(C)c2cc1c(O)c(Br)c2O.
What is the InChIKey of 5,11,17,23-tetrabromo-2,8,14,20-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 GIKSBRYWPGDNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Br4O8/c1-9-13-5-15(27(39)21(33)25(13)37)10(2)17-7-19(31(43)23(35)29(17)41)12(4)20-8-18(30(42)24(36)32(20)44)11(3)16-6-14(9)26(38)22(34)28(16)40/h5-12,37-44H,1-4H3.
What are the key properties of 5,11,17,23-tetrabromo-2,8,14,20-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?
5,11,17,23-tetrabromo-2,8,14,20-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 860.18 g/mol, XLogP of 9.30, 0 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-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 2825122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).