1,3-dibromo-5-phenylbenzene

C12H8Br2 — CID 3014933

IUPAC1,3-dibromo-5-phenylbenzene
SMILESBrc1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C12H8Br2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
InChIKeyHIHYAKDOWUFGBK-UHFFFAOYSA-N
MW312.00 g/mol
LogP4.88
Rot. Bonds1

About 1,3-dibromo-5-phenylbenzene

1,3-dibromo-5-phenylbenzene (PubChem CID 3014933) has the molecular formula C12H8Br2 and a molecular weight of 312.00 g/mol. Its IUPAC name is 1,3-dibromo-5-phenylbenzene.

Molecular Properties

Compound Name1,3-dibromo-5-phenylbenzene
PubChem CID3014933
Molecular FormulaC12H8Br2
Molecular Weight312.00 g/mol
Exact Mass309.90
IUPAC Name1,3-dibromo-5-phenylbenzene
SMILESBrc1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C12H8Br2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
InChIKeyHIHYAKDOWUFGBK-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.00
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dibromo-5-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
1-bromo-3-phenylbenzene
CID 16449
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
(3-bromo-5-phenylphenyl)boronic acid
CID 127256083
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1-bromo-3-phenylbenzene;ethane
CID 163977967
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 58943669
1-bromo-3-methyl-5-phenylbenzene;1,3-dibromo-5-methylbenzene;phenylboronic acid
CID 159242843
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-phenylbenzene?
The IUPAC name of 1,3-dibromo-5-phenylbenzene (CID 3014933) is 1,3-dibromo-5-phenylbenzene.
What is the SMILES notation for 1,3-dibromo-5-phenylbenzene?
The canonical SMILES for 1,3-dibromo-5-phenylbenzene is Brc1cc(Br)cc(-c2ccccc2)c1.
What is the InChIKey of 1,3-dibromo-5-phenylbenzene?
The InChIKey is HIHYAKDOWUFGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1,3-dibromo-5-phenylbenzene?
1,3-dibromo-5-phenylbenzene has a molecular weight of 312.00 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-phenylbenzene is sourced from PubChem (CID 3014933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).