5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole

C26H19FN4O — CID 90997292

IUPAC5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole
SMILESFc1cc(-c2nn[nH]n2)cc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C26H19FN4O/c27-21-15-19(14-20(16-21)26-28-30-31-29-26)22-10-4-5-11-23(22)24-12-6-7-13-25(24)32-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29,30,31)
InChIKeyNVHVGHRGCYSBNP-UHFFFAOYSA-N
MW422.46 g/mol
LogP5.92
Rot. Bonds6

About 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole

5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole (PubChem CID 90997292) has the molecular formula C26H19FN4O and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole
PubChem CID90997292
Molecular FormulaC26H19FN4O
Molecular Weight422.46 g/mol
Exact Mass422.15
IUPAC Name5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole
SMILESFc1cc(-c2nn[nH]n2)cc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C26H19FN4O/c27-21-15-19(14-20(16-21)26-28-30-31-29-26)22-10-4-5-11-23(22)24-12-6-7-13-25(24)32-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29,30,31)
InChIKeyNVHVGHRGCYSBNP-UHFFFAOYSA-N
XLogP5.92
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole (CID 90997292) is 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole is Fc1cc(-c2nn[nH]n2)cc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole?
The InChIKey is NVHVGHRGCYSBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O/c27-21-15-19(14-20(16-21)26-28-30-31-29-26)22-10-4-5-11-23(22)24-12-6-7-13-25(24)32-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29,30,31).
What are the key properties of 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole?
5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole has a molecular weight of 422.46 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 90997292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).