1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene

C24H18BrI — CID 158985946

IUPAC1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene
SMILESBrc1cccc(-c2ccccc2)c1.Ic1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H9Br.C12H9I/c2*13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h2*1-9H
InChIKeyJPOLRROIRJIYKP-UHFFFAOYSA-N
MW513.22 g/mol
LogP8.07
Rot. Bonds2

About 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene

1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene (PubChem CID 158985946) has the molecular formula C24H18BrI and a molecular weight of 513.22 g/mol. Its IUPAC name is 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene.

Molecular Properties

Compound Name1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene
PubChem CID158985946
Molecular FormulaC24H18BrI
Molecular Weight513.22 g/mol
Exact Mass511.96
IUPAC Name1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene
SMILESBrc1cccc(-c2ccccc2)c1.Ic1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H9Br.C12H9I/c2*13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h2*1-9H
InChIKeyJPOLRROIRJIYKP-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.22
LogP ≤ 58.07
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-bromo-3-phenylbenzene
CID 16449
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
1-(3-iodophenyl)-4-(3-phenylphenyl)benzene
CID 12670522
1-bromo-3-phenylbenzene;ethane
CID 163977967
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
1-bromo-3-iodobenzene;2-phenyl-1,3,5-triazine
CID 174896057
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene
CID 68581220

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene?
The IUPAC name of 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene (CID 158985946) is 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene.
What is the SMILES notation for 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene?
The canonical SMILES for 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene is Brc1cccc(-c2ccccc2)c1.Ic1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene?
The InChIKey is JPOLRROIRJIYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br.C12H9I/c2*13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h2*1-9H.
What are the key properties of 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene?
1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene has a molecular weight of 513.22 g/mol, XLogP of 8.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene is sourced from PubChem (CID 158985946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).