2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone

C26H21NO2 — CID 90680438

IUPAC2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H21NO2/c28-26(25(21-12-5-2-6-13-21)24-16-7-8-17-27-24)22-14-9-15-23(18-22)29-19-20-10-3-1-4-11-20/h1-18,25H,19H2
InChIKeyFDYIKHCYVYCJHZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.68
Rot. Bonds7

About 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone

2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone (PubChem CID 90680438) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
PubChem CID90680438
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H21NO2/c28-26(25(21-12-5-2-6-13-21)24-16-7-8-17-27-24)22-14-9-15-23(18-22)29-19-20-10-3-1-4-11-20/h1-18,25H,19H2
InChIKeyFDYIKHCYVYCJHZ-UHFFFAOYSA-N
XLogP5.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone (CID 90680438) is 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone is O=C(c1cccc(OCc2ccccc2)c1)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone?
The InChIKey is FDYIKHCYVYCJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c28-26(25(21-12-5-2-6-13-21)24-16-7-8-17-27-24)22-14-9-15-23(18-22)29-19-20-10-3-1-4-11-20/h1-18,25H,19H2.
What are the key properties of 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone?
2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone has a molecular weight of 379.46 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 90680438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).