1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine

C23H18F2N2 — CID 143385251

IUPAC1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine
SMILESFc1ccc(C(c2ccccc2)(c2ccc(F)cc2)N2C=CN=CC2)cc1
InChIInChI=1S/C23H18F2N2/c24-21-10-6-19(7-11-21)23(18-4-2-1-3-5-18,27-16-14-26-15-17-27)20-8-12-22(25)13-9-20/h1-16H,17H2
InChIKeyDYOCZINKWFDSQV-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.11
Rot. Bonds4

About 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine

1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine (PubChem CID 143385251) has the molecular formula C23H18F2N2 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine
PubChem CID143385251
Molecular FormulaC23H18F2N2
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine
SMILESFc1ccc(C(c2ccccc2)(c2ccc(F)cc2)N2C=CN=CC2)cc1
InChIInChI=1S/C23H18F2N2/c24-21-10-6-19(7-11-21)23(18-4-2-1-3-5-18,27-16-14-26-15-17-27)20-8-12-22(25)13-9-20/h1-16H,17H2
InChIKeyDYOCZINKWFDSQV-UHFFFAOYSA-N
XLogP5.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine?
The IUPAC name of 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine (CID 143385251) is 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine is Fc1ccc(C(c2ccccc2)(c2ccc(F)cc2)N2C=CN=CC2)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine?
The InChIKey is DYOCZINKWFDSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2/c24-21-10-6-19(7-11-21)23(18-4-2-1-3-5-18,27-16-14-26-15-17-27)20-8-12-22(25)13-9-20/h1-16H,17H2.
What are the key properties of 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine?
1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine has a molecular weight of 360.41 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine is sourced from PubChem (CID 143385251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).