2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene

C26H20Br2 — CID 101421136

IUPAC2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene
SMILESBrCc1c(-c2ccccc2)cccc1-c1cccc(-c2ccccc2)c1CBr
InChIInChI=1S/C26H20Br2/c27-17-25-21(19-9-3-1-4-10-19)13-7-15-23(25)24-16-8-14-22(26(24)18-28)20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyLFFSMRYFGCBQIE-UHFFFAOYSA-N
MW492.25 g/mol
LogP8.48
Rot. Bonds5

About 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene

2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene (PubChem CID 101421136) has the molecular formula C26H20Br2 and a molecular weight of 492.25 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene
PubChem CID101421136
Molecular FormulaC26H20Br2
Molecular Weight492.25 g/mol
Exact Mass489.99
IUPAC Name2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene
SMILESBrCc1c(-c2ccccc2)cccc1-c1cccc(-c2ccccc2)c1CBr
InChIInChI=1S/C26H20Br2/c27-17-25-21(19-9-3-1-4-10-19)13-7-15-23(25)24-16-8-14-22(26(24)18-28)20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyLFFSMRYFGCBQIE-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.25
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene?
The IUPAC name of 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene (CID 101421136) is 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene.
What is the SMILES notation for 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene?
The canonical SMILES for 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene is BrCc1c(-c2ccccc2)cccc1-c1cccc(-c2ccccc2)c1CBr.
What is the InChIKey of 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene?
The InChIKey is LFFSMRYFGCBQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Br2/c27-17-25-21(19-9-3-1-4-10-19)13-7-15-23(25)24-16-8-14-22(26(24)18-28)20-11-5-2-6-12-20/h1-16H,17-18H2.
What are the key properties of 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene?
2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene has a molecular weight of 492.25 g/mol, XLogP of 8.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene is sourced from PubChem (CID 101421136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).