1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene

C14H8Br6 — CID 139670276

IUPAC1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene
SMILESCC(c1c(Br)cc(Br)cc1Br)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H8Br6/c1-6(13-9(17)2-7(15)3-10(13)18)14-11(19)4-8(16)5-12(14)20/h2-6H,1H3
InChIKeyBMNOAVYSHQFYOD-UHFFFAOYSA-N
MW655.64 g/mol
LogP8.41
Rot. Bonds2

About 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene

1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene (PubChem CID 139670276) has the molecular formula C14H8Br6 and a molecular weight of 655.64 g/mol. Its IUPAC name is 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene.

Molecular Properties

Compound Name1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene
PubChem CID139670276
Molecular FormulaC14H8Br6
Molecular Weight655.64 g/mol
Exact Mass649.57
IUPAC Name1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene
SMILESCC(c1c(Br)cc(Br)cc1Br)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H8Br6/c1-6(13-9(17)2-7(15)3-10(13)18)14-11(19)4-8(16)5-12(14)20/h2-6H,1H3
InChIKeyBMNOAVYSHQFYOD-UHFFFAOYSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.64
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,4,6-tribromophenyl)methanamine
CID 141289541
4-methyl-5-[1-(2,4,6-tribromophenyl)ethyl]-1,3-thiazol-2-amine
CID 64707273
1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene
CID 123542330
(4-bromo-2,6-dimethylphenyl)methanediol
CID 21336315
5-bromo-2-propan-2-ylbenzene-1,3-diol
CID 19910498
1-[3,5-dibromo-2-(difluoromethyl)phenyl]ethanone
CID 171010149
2,4-dibromo-6-methylaniline;dihydrobromide
CID 175177436
dimethyl-(2,4,6-tribromophenyl)sulfanium
CID 154075909
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
1,5-dibromo-2-methyl-3-methylsulfanylbenzene
CID 20756945
1-(3,5-dibromophenyl)ethanamine
CID 23147757
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene?
The IUPAC name of 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene (CID 139670276) is 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene.
What is the SMILES notation for 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene?
The canonical SMILES for 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene is CC(c1c(Br)cc(Br)cc1Br)c1c(Br)cc(Br)cc1Br.
What is the InChIKey of 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene?
The InChIKey is BMNOAVYSHQFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br6/c1-6(13-9(17)2-7(15)3-10(13)18)14-11(19)4-8(16)5-12(14)20/h2-6H,1H3.
What are the key properties of 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene?
1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene has a molecular weight of 655.64 g/mol, XLogP of 8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene is sourced from PubChem (CID 139670276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).