2,5-dibromo-1,3-diphenylbenzene

C18H12Br2 — CID 142746562

IUPAC2,5-dibromo-1,3-diphenylbenzene
SMILESBrc1cc(-c2ccccc2)c(Br)c(-c2ccccc2)c1
InChIInChI=1S/C18H12Br2/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h1-12H
InChIKeyRDDJMUFCZHALPI-UHFFFAOYSA-N
MW388.10 g/mol
LogP6.55
Rot. Bonds2

About 2,5-dibromo-1,3-diphenylbenzene

2,5-dibromo-1,3-diphenylbenzene (PubChem CID 142746562) has the molecular formula C18H12Br2 and a molecular weight of 388.10 g/mol. Its IUPAC name is 2,5-dibromo-1,3-diphenylbenzene.

Molecular Properties

Compound Name2,5-dibromo-1,3-diphenylbenzene
PubChem CID142746562
Molecular FormulaC18H12Br2
Molecular Weight388.10 g/mol
Exact Mass385.93
IUPAC Name2,5-dibromo-1,3-diphenylbenzene
SMILESBrc1cc(-c2ccccc2)c(Br)c(-c2ccccc2)c1
InChIInChI=1S/C18H12Br2/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h1-12H
InChIKeyRDDJMUFCZHALPI-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.10
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-2,6-diphenylphenol
CID 11147454
1,4,5,8-tetrabromo-2,6-diphenylnaphthalene
CID 155342029
1,3-dibromo-5-phenylbenzene
CID 3014933
1,5-dibromo-2-methoxy-3-phenylbenzene
CID 164895909
2-bromo-1-iodo-3,5-diphenylbenzene
CID 167285522
4-bromo-2-phenylcyclohepta-2,4,6-trien-1-one
CID 101071715
1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene
CID 87347714
5-bromo-2-fluoro-3-phenylbenzaldehyde
CID 163198089
azane;(2,4-dibromo-6-phenylphenyl)-phenyldiazene
CID 87095456
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
4-bromo-1-(4-bromophenyl)-2-ethynyl-3,5-diphenylbenzene
CID 175914549
5-bromo-2-methylsulfinyl-3-phenylphenol
CID 170780946

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1,3-diphenylbenzene?
The IUPAC name of 2,5-dibromo-1,3-diphenylbenzene (CID 142746562) is 2,5-dibromo-1,3-diphenylbenzene.
What is the SMILES notation for 2,5-dibromo-1,3-diphenylbenzene?
The canonical SMILES for 2,5-dibromo-1,3-diphenylbenzene is Brc1cc(-c2ccccc2)c(Br)c(-c2ccccc2)c1.
What is the InChIKey of 2,5-dibromo-1,3-diphenylbenzene?
The InChIKey is RDDJMUFCZHALPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2,5-dibromo-1,3-diphenylbenzene?
2,5-dibromo-1,3-diphenylbenzene has a molecular weight of 388.10 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1,3-diphenylbenzene is sourced from PubChem (CID 142746562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).