1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene

C32H23Br — CID 102490196

IUPAC1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene
SMILESBrc1cc([C+](c2ccccc2)c2ccccc2)cc([C-](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H23Br/c33-30-22-28(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)21-29(23-30)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H
InChIKeyJQDWEBPZHFRFFA-UHFFFAOYSA-N
MW487.44 g/mol
LogP8.49
Rot. Bonds6

About 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene

1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene (PubChem CID 102490196) has the molecular formula C32H23Br and a molecular weight of 487.44 g/mol. Its IUPAC name is 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene
PubChem CID102490196
Molecular FormulaC32H23Br
Molecular Weight487.44 g/mol
Exact Mass486.10
IUPAC Name1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene
SMILESBrc1cc([C+](c2ccccc2)c2ccccc2)cc([C-](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H23Br/c33-30-22-28(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)21-29(23-30)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H
InChIKeyJQDWEBPZHFRFFA-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.44
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene?
The IUPAC name of 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene (CID 102490196) is 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene.
What is the SMILES notation for 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene?
The canonical SMILES for 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene is Brc1cc([C+](c2ccccc2)c2ccccc2)cc([C-](c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene?
The InChIKey is JQDWEBPZHFRFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Br/c33-30-22-28(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)21-29(23-30)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H.
What are the key properties of 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene?
1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene has a molecular weight of 487.44 g/mol, XLogP of 8.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene is sourced from PubChem (CID 102490196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).