1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene

C24H16Br2O — CID 67846401

IUPAC1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene
SMILESBrc1cccc(Oc2cccc(Br)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16Br2O/c25-19-13-7-15-21(23(19)17-9-3-1-4-10-17)27-22-16-8-14-20(26)24(22)18-11-5-2-6-12-18/h1-16H
InChIKeySGSRWJWKEQYEGG-UHFFFAOYSA-N
MW480.20 g/mol
LogP8.34
Rot. Bonds4

About 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene

1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene (PubChem CID 67846401) has the molecular formula C24H16Br2O and a molecular weight of 480.20 g/mol. Its IUPAC name is 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene.

Molecular Properties

Compound Name1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene
PubChem CID67846401
Molecular FormulaC24H16Br2O
Molecular Weight480.20 g/mol
Exact Mass477.96
IUPAC Name1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene
SMILESBrc1cccc(Oc2cccc(Br)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16Br2O/c25-19-13-7-15-21(23(19)17-9-3-1-4-10-17)27-22-16-8-14-20(26)24(22)18-11-5-2-6-12-18/h1-16H
InChIKeySGSRWJWKEQYEGG-UHFFFAOYSA-N
XLogP8.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.20
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene
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1-bromo-4-[(E)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene
CID 135002429
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CID 21218504
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CID 16059702
4-(Benzyloxy)-4'-bromo-1,1'-biphenyl
CID 22465773
1-Bromo-2-((4-hexylphenoxy)methyl)benzene
CID 90486420
5,6-Diphenylbenzo[b][1]benzoxepine
CID 12626877
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CID 13167349
3-[(2-Bromophenyl)methyl]-2-phenylchromene-4-thione
CID 15934198

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene?
The IUPAC name of 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene (CID 67846401) is 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene.
What is the SMILES notation for 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene?
The canonical SMILES for 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene is Brc1cccc(Oc2cccc(Br)c2-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene?
The InChIKey is SGSRWJWKEQYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2O/c25-19-13-7-15-21(23(19)17-9-3-1-4-10-17)27-22-16-8-14-20(26)24(22)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene?
1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene has a molecular weight of 480.20 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromo-2-phenylphenoxy)-2-phenylbenzene is sourced from PubChem (CID 67846401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).