1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene

C23H24Br8O2 — CID 22345068

IUPAC1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene
SMILESCC(Br)(CBr)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(C)(Br)CBr)c(Br)c2)cc1Br
InChIInChI=1S/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3
InChIKeyIYOVSGHZOIZSDC-UHFFFAOYSA-N
MW971.67 g/mol
LogP10.92
Rot. Bonds10

About 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene

1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene (PubChem CID 22345068) has the molecular formula C23H24Br8O2 and a molecular weight of 971.67 g/mol. Its IUPAC name is 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene.

Molecular Properties

Compound Name1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene
PubChem CID22345068
Molecular FormulaC23H24Br8O2
Molecular Weight971.67 g/mol
Exact Mass963.52
IUPAC Name1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene
SMILESCC(Br)(CBr)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(C)(Br)CBr)c(Br)c2)cc1Br
InChIInChI=1S/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3
InChIKeyIYOVSGHZOIZSDC-UHFFFAOYSA-N
XLogP10.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.67
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene with MolForge

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Related Compounds

2,2-Bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propane
CID 20113
1,1'-Isopropylidenebis(4-(allyloxy)-3,5-dibromobenzene)
CID 61972
Tetrabromobisphenol A bis(2,3-dibromopropyl ether)
CID 62753
tetrabromobisphenol A diglycidyl ether
CID 62250
tetrabromobisphenol A dimethyl ether
CID 37841
2-Propenoic acid, (1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy-2,1-ethanediyl) ester
CID 105380
3-Bromo-4-methoxybiphenyl
CID 262267
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate
CID 118551
Benzene, 1-(4-bromophenoxy)-3-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-
CID 3067170
Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-[2-(2,4,6-tribromophenoxy)ethoxy]-
CID 162914
Carbonic acid, C,C'-((1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy-2,1-ethanediyl)) C,C'-di-2-propen-1-yl ester
CID 44145664
1,1'-Biphenyl, 4-(4-bromobutoxy)-4'-methoxy-
CID 2795147

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene?
The IUPAC name of 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene (CID 22345068) is 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene.
What is the SMILES notation for 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene?
The canonical SMILES for 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene is CC(Br)(CBr)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(C)(Br)CBr)c(Br)c2)cc1Br.
What is the InChIKey of 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene?
The InChIKey is IYOVSGHZOIZSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3.
What are the key properties of 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene?
1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene has a molecular weight of 971.67 g/mol, XLogP of 10.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene is sourced from PubChem (CID 22345068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).