1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene

C24H17Br2I — CID 162245084

IUPAC1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene
SMILESBrc1ccc(-c2ccc(I)cc2)cc1.Brc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H8BrI.C12H9Br/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8H;1-9H
InChIKeyZXFMSIXMIYZVSC-UHFFFAOYSA-N
MW592.11 g/mol
LogP8.84
Rot. Bonds2

About 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene

1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene (PubChem CID 162245084) has the molecular formula C24H17Br2I and a molecular weight of 592.11 g/mol. Its IUPAC name is 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene.

Molecular Properties

Compound Name1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene
PubChem CID162245084
Molecular FormulaC24H17Br2I
Molecular Weight592.11 g/mol
Exact Mass589.87
IUPAC Name1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene
SMILESBrc1ccc(-c2ccc(I)cc2)cc1.Brc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H8BrI.C12H9Br/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8H;1-9H
InChIKeyZXFMSIXMIYZVSC-UHFFFAOYSA-N
XLogP8.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.11
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
CID 173172073
CID 173172073
CID 158785792
CID 158785792
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene
CID 176748708
N-[4-(4-iodophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 131842725
1-bromo-2-iodobenzene;1-bromo-4-iodobenzene
CID 159057639
3,4-bis(4-bromophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 3106868
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
4-(4-bromophenyl)-2-phenyltellurophene
CID 153428306

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene?
The IUPAC name of 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene (CID 162245084) is 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene.
What is the SMILES notation for 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene?
The canonical SMILES for 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene is Brc1ccc(-c2ccc(I)cc2)cc1.Brc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene?
The InChIKey is ZXFMSIXMIYZVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrI.C12H9Br/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8H;1-9H.
What are the key properties of 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene?
1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene has a molecular weight of 592.11 g/mol, XLogP of 8.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene is sourced from PubChem (CID 162245084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).