1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene

C24H12Br6O — CID 141473508

IUPAC1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene
SMILESBrc1ccccc1-c1ccc(Br)c(Oc2c(Br)ccc(-c3ccccc3Br)c2Br)c1Br
InChIInChI=1S/C24H12Br6O/c25-17-7-3-1-5-13(17)15-9-11-19(27)23(21(15)29)31-24-20(28)12-10-16(22(24)30)14-6-2-4-8-18(14)26/h1-12H
InChIKeyYEKFMHBQVGULRF-UHFFFAOYSA-N
MW795.78 g/mol
LogP11.39
Rot. Bonds4

About 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene

1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene (PubChem CID 141473508) has the molecular formula C24H12Br6O and a molecular weight of 795.78 g/mol. Its IUPAC name is 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene.

Molecular Properties

Compound Name1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene
PubChem CID141473508
Molecular FormulaC24H12Br6O
Molecular Weight795.78 g/mol
Exact Mass789.60
IUPAC Name1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene
SMILESBrc1ccccc1-c1ccc(Br)c(Oc2c(Br)ccc(-c3ccccc3Br)c2Br)c1Br
InChIInChI=1S/C24H12Br6O/c25-17-7-3-1-5-13(17)15-9-11-19(27)23(21(15)29)31-24-20(28)12-10-16(22(24)30)14-6-2-4-8-18(14)26/h1-12H
InChIKeyYEKFMHBQVGULRF-UHFFFAOYSA-N
XLogP11.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.78
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[3-(4-amino-2-bromophenyl)-2,6-dibromophenoxy]-2,4-dibromophenyl]-3-bromoaniline
CID 141365871
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
CID 4530279
1,2,3,4,5-pentabromo-6-(2,3,6-tribromophenoxy)benzene
CID 72941821
2-bromo-1-(2-bromophenyl)-3-chlorobenzene
CID 175669907
3-(2-bromophenyl)fluoranthene
CID 58390376
1-(2-bromophenyl)triphenylene
CID 134258474
1,4-dibromonaphthalene
CID 162208061
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
1-bromo-2-[2-(2-iodophenyl)phenyl]benzene
CID 172548371
1-bromo-2-[2-(2-fluorophenyl)phenyl]benzene
CID 168811602
CID 175780495
CID 175780495
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene?
The IUPAC name of 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene (CID 141473508) is 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene.
What is the SMILES notation for 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene?
The canonical SMILES for 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene is Brc1ccccc1-c1ccc(Br)c(Oc2c(Br)ccc(-c3ccccc3Br)c2Br)c1Br.
What is the InChIKey of 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene?
The InChIKey is YEKFMHBQVGULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Br6O/c25-17-7-3-1-5-13(17)15-9-11-19(27)23(21(15)29)31-24-20(28)12-10-16(22(24)30)14-6-2-4-8-18(14)26/h1-12H.
What are the key properties of 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene?
1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene has a molecular weight of 795.78 g/mol, XLogP of 11.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-4-(2-bromophenyl)-2-[2,6-dibromo-3-(2-bromophenyl)phenoxy]benzene is sourced from PubChem (CID 141473508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).