(1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene

C18H16Br6 — CID 22056706

IUPAC(1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene
SMILESBrCC(Br)C(Br)C(Br)C(Br)(c1ccccc1)C(Br)c1ccccc1
InChIInChI=1S/C18H16Br6/c19-11-14(20)15(21)17(23)18(24,13-9-5-2-6-10-13)16(22)12-7-3-1-4-8-12/h1-10,14-17H,11H2
InChIKeyOTYZGPFLQUOMLP-UHFFFAOYSA-N
MW711.75 g/mol
LogP8.10
Rot. Bonds7

About (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene

(1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene (PubChem CID 22056706) has the molecular formula C18H16Br6 and a molecular weight of 711.75 g/mol. Its IUPAC name is (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene.

Molecular Properties

Compound Name(1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene
PubChem CID22056706
Molecular FormulaC18H16Br6
Molecular Weight711.75 g/mol
Exact Mass705.64
IUPAC Name(1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene
SMILESBrCC(Br)C(Br)C(Br)C(Br)(c1ccccc1)C(Br)c1ccccc1
InChIInChI=1S/C18H16Br6/c19-11-14(20)15(21)17(23)18(24,13-9-5-2-6-10-13)16(22)12-7-3-1-4-8-12/h1-10,14-17H,11H2
InChIKeyOTYZGPFLQUOMLP-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.75
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 141334125
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CID 174279741
(1-bromo-1,2,2-triphenylethyl)benzene
CID 122414724
1,1,2-triphenylbutylphosphane
CID 19027387
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CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
[4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene
CID 150072887
2,3-bis[bromo(phenyl)methyl]-2,3-dihydroxybutanedial
CID 71345208
2,3-dibromopropylsulfanylbenzene
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1,1,2-tribromoethylbenzene
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Frequently Asked Questions

What is the IUPAC name of (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene?
The IUPAC name of (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene (CID 22056706) is (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene.
What is the SMILES notation for (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene?
The canonical SMILES for (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene is BrCC(Br)C(Br)C(Br)C(Br)(c1ccccc1)C(Br)c1ccccc1.
What is the InChIKey of (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene?
The InChIKey is OTYZGPFLQUOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br6/c19-11-14(20)15(21)17(23)18(24,13-9-5-2-6-10-13)16(22)12-7-3-1-4-8-12/h1-10,14-17H,11H2.
What are the key properties of (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene?
(1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene has a molecular weight of 711.75 g/mol, XLogP of 8.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,4,5,6-hexabromo-1-phenylhexan-2-yl)benzene is sourced from PubChem (CID 22056706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).