1-bromo-3,5-diphenylbenzene

C36H26Br2 — CID 139077999

IUPAC1-bromo-3,5-diphenylbenzene
SMILESBrc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Brc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/2C18H13Br/c2*19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h2*1-13H
InChIKeyQBNHILOUTPISOM-UHFFFAOYSA-N
MW618.41 g/mol
LogP11.57
Rot. Bonds4

About 1-bromo-3,5-diphenylbenzene

1-bromo-3,5-diphenylbenzene (PubChem CID 139077999) has the molecular formula C36H26Br2 and a molecular weight of 618.41 g/mol. Its IUPAC name is 1-bromo-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-bromo-3,5-diphenylbenzene
PubChem CID139077999
Molecular FormulaC36H26Br2
Molecular Weight618.41 g/mol
Exact Mass616.04
IUPAC Name1-bromo-3,5-diphenylbenzene
SMILESBrc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Brc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/2C18H13Br/c2*19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h2*1-13H
InChIKeyQBNHILOUTPISOM-UHFFFAOYSA-N
XLogP11.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.41
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-diphenylbenzene?
The IUPAC name of 1-bromo-3,5-diphenylbenzene (CID 139077999) is 1-bromo-3,5-diphenylbenzene.
What is the SMILES notation for 1-bromo-3,5-diphenylbenzene?
The canonical SMILES for 1-bromo-3,5-diphenylbenzene is Brc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Brc1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 1-bromo-3,5-diphenylbenzene?
The InChIKey is QBNHILOUTPISOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13Br/c2*19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h2*1-13H.
What are the key properties of 1-bromo-3,5-diphenylbenzene?
1-bromo-3,5-diphenylbenzene has a molecular weight of 618.41 g/mol, XLogP of 11.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-diphenylbenzene is sourced from PubChem (CID 139077999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).