4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene

C33H20Br8 — CID 10843723

IUPAC4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene
SMILESCC12c3cc(Br)c(Br)cc3C3(C)c4cc(Br)c(Br)cc4C4(C)c5cc(Br)c(Br)cc5C(C)(c5cc(Br)c(Br)cc51)C234
InChIInChI=1S/C33H20Br8/c1-29-13-5-21(34)23(36)7-15(13)30(2)17-9-25(38)27(40)11-19(17)32(4)20-12-28(41)26(39)10-18(20)31(3,33(29,30)32)16-8-24(37)22(35)6-14(16)29/h5-12H,1-4H3
InChIKeyVEUHTRROAYGEJT-UHFFFAOYSA-N
MW1055.75 g/mol
LogP13.35
Rot. Bonds

About 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene

4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene (PubChem CID 10843723) has the molecular formula C33H20Br8 and a molecular weight of 1055.75 g/mol. Its IUPAC name is 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene.

Molecular Properties

Compound Name4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene
PubChem CID10843723
Molecular FormulaC33H20Br8
Molecular Weight1055.75 g/mol
Exact Mass1047.50
IUPAC Name4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene
SMILESCC12c3cc(Br)c(Br)cc3C3(C)c4cc(Br)c(Br)cc4C4(C)c5cc(Br)c(Br)cc5C(C)(c5cc(Br)c(Br)cc51)C234
InChIInChI=1S/C33H20Br8/c1-29-13-5-21(34)23(36)7-15(13)30(2)17-9-25(38)27(40)11-19(17)32(4)20-12-28(41)26(39)10-18(20)31(3,33(29,30)32)16-8-24(37)22(35)6-14(16)29/h5-12H,1-4H3
InChIKeyVEUHTRROAYGEJT-UHFFFAOYSA-N
XLogP13.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.75
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene?
The IUPAC name of 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene (CID 10843723) is 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene.
What is the SMILES notation for 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene?
The canonical SMILES for 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene is CC12c3cc(Br)c(Br)cc3C3(C)c4cc(Br)c(Br)cc4C4(C)c5cc(Br)c(Br)cc5C(C)(c5cc(Br)c(Br)cc51)C234.
What is the InChIKey of 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene?
The InChIKey is VEUHTRROAYGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20Br8/c1-29-13-5-21(34)23(36)7-15(13)30(2)17-9-25(38)27(40)11-19(17)32(4)20-12-28(41)26(39)10-18(20)31(3,33(29,30)32)16-8-24(37)22(35)6-14(16)29/h5-12H,1-4H3.
What are the key properties of 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene?
4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene has a molecular weight of 1055.75 g/mol, XLogP of 13.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,11,12,18,19,25,26-octabromo-1,8,15,22-tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene is sourced from PubChem (CID 10843723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).