1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene

C32H23F — CID 102490202

IUPAC1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene
SMILESFc1cc([C+](c2ccccc2)c2ccccc2)cc([C-](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H23F/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
InChIKeyOYIANEGMQDRYIG-UHFFFAOYSA-N
MW426.53 g/mol
LogP7.86
Rot. Bonds6

About 1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene

1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene (PubChem CID 102490202) has the molecular formula C32H23F and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene
PubChem CID102490202
Molecular FormulaC32H23F
Molecular Weight426.53 g/mol
Exact Mass426.18
IUPAC Name1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene
SMILESFc1cc([C+](c2ccccc2)c2ccccc2)cc([C-](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H23F/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
InChIKeyOYIANEGMQDRYIG-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.53
LogP ≤ 57.86
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-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene?
The IUPAC name of 1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene (CID 102490202) is 1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene.
What is the SMILES notation for 1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene?
The canonical SMILES for 1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene is Fc1cc([C+](c2ccccc2)c2ccccc2)cc([C-](c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene?
The InChIKey is OYIANEGMQDRYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F/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-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene?
1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene has a molecular weight of 426.53 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylmethyl)-3-(diphenylmethyl)-5-fluorobenzene is sourced from PubChem (CID 102490202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).