1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene

C26H20Br2 — CID 101034345

IUPAC1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene
SMILESBrC(c1ccccc1)c1ccc(C(Br)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20Br2/c27-25(20-10-4-1-5-11-20)21-16-18-24(19-17-21)26(28,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25H
InChIKeyRANJFECODSFIQM-UHFFFAOYSA-N
MW492.25 g/mol
LogP7.86
Rot. Bonds5

About 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene

1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene (PubChem CID 101034345) has the molecular formula C26H20Br2 and a molecular weight of 492.25 g/mol. Its IUPAC name is 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene
PubChem CID101034345
Molecular FormulaC26H20Br2
Molecular Weight492.25 g/mol
Exact Mass489.99
IUPAC Name1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene
SMILESBrC(c1ccccc1)c1ccc(C(Br)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20Br2/c27-25(20-10-4-1-5-11-20)21-16-18-24(19-17-21)26(28,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25H
InChIKeyRANJFECODSFIQM-UHFFFAOYSA-N
XLogP7.86
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 ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
4-[bromo(phenyl)methyl]pyridine
CID 43608201
(1-bromo-2,2,2-triphenylethyl)benzene
CID 141334125
(1-bromo-1,2,2-triphenylethyl)benzene
CID 122414724
5-[bromo(phenyl)methyl]-1-trityltetrazole
CID 22407336
1-bromoethylbenzene
CID 11454
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene
CID 107991611

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene?
The IUPAC name of 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene (CID 101034345) is 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene.
What is the SMILES notation for 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene?
The canonical SMILES for 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene is BrC(c1ccccc1)c1ccc(C(Br)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene?
The InChIKey is RANJFECODSFIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Br2/c27-25(20-10-4-1-5-11-20)21-16-18-24(19-17-21)26(28,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25H.
What are the key properties of 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene?
1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene has a molecular weight of 492.25 g/mol, XLogP of 7.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(diphenyl)methyl]-4-[bromo(phenyl)methyl]benzene is sourced from PubChem (CID 101034345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).