1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene

C25H18Br2 — CID 140824221

IUPAC1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene
SMILESBrc1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(Br)c2)c1
InChIInChI=1S/C25H18Br2/c26-23-15-7-13-21(17-23)25(19-9-3-1-4-10-19,20-11-5-2-6-12-20)22-14-8-16-24(27)18-22/h1-18H
InChIKeyULEONMRSGLHFQK-UHFFFAOYSA-N
MW478.23 g/mol
LogP7.59
Rot. Bonds4

About 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene

1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene (PubChem CID 140824221) has the molecular formula C25H18Br2 and a molecular weight of 478.23 g/mol. Its IUPAC name is 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene
PubChem CID140824221
Molecular FormulaC25H18Br2
Molecular Weight478.23 g/mol
Exact Mass475.98
IUPAC Name1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene
SMILESBrc1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(Br)c2)c1
InChIInChI=1S/C25H18Br2/c26-23-15-7-13-21(17-23)25(19-9-3-1-4-10-19,20-11-5-2-6-12-20)22-14-8-16-24(27)18-22/h1-18H
InChIKeyULEONMRSGLHFQK-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.23
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
1-chloro-3-tritylbenzene
CID 14737306
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
azane;1-bromo-3-(trifluoromethyl)benzene;carbonic acid
CID 175115422
2-(3-bromophenyl)-2,2-difluoroacetic acid
CID 28740330
2-benzyl-2-(3-bromophenyl)propane-1,3-diol
CID 79447171
3-(3-bromophenyl)-3-phenylbutan-1-amine
CID 173451063
1-(3-bromophenyl)-1,1-difluoropropan-2-amine
CID 91926944
1-bromo-3-phenylbenzene
CID 16449
1-bromo-3-(2-isocyanopropan-2-yl)benzene
CID 58883473
1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene
CID 176748708
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene?
The IUPAC name of 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene (CID 140824221) is 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene.
What is the SMILES notation for 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene?
The canonical SMILES for 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene is Brc1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene?
The InChIKey is ULEONMRSGLHFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Br2/c26-23-15-7-13-21(17-23)25(19-9-3-1-4-10-19,20-11-5-2-6-12-20)22-14-8-16-24(27)18-22/h1-18H.
What are the key properties of 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene?
1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene has a molecular weight of 478.23 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene is sourced from PubChem (CID 140824221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).