(Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine

C25H25NO2 — CID 45269527

IUPAC(Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
SMILESCC1/C(=N\OCc2ccccc2)CC(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C25H25NO2/c1-19-23(26-27-18-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)28-25(19)22-15-9-4-10-16-22/h2-16,19,24-25H,17-18H2,1H3/b26-23-
InChIKeyDAMINAFEYWJFDP-RWEWTDSWSA-N
MW371.48 g/mol
LogP6.10
Rot. Bonds5

About (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine

(Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine (PubChem CID 45269527) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine.

Molecular Properties

Compound Name(Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
PubChem CID45269527
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
SMILESCC1/C(=N\OCc2ccccc2)CC(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C25H25NO2/c1-19-23(26-27-18-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)28-25(19)22-15-9-4-10-16-22/h2-16,19,24-25H,17-18H2,1H3/b26-23-
InChIKeyDAMINAFEYWJFDP-RWEWTDSWSA-N
XLogP6.10
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine?
The IUPAC name of (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine (CID 45269527) is (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine.
What is the SMILES notation for (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine?
The canonical SMILES for (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine is CC1/C(=N\OCc2ccccc2)CC(c2ccccc2)OC1c1ccccc1.
What is the InChIKey of (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine?
The InChIKey is DAMINAFEYWJFDP-RWEWTDSWSA-N. The full InChI is InChI=1S/C25H25NO2/c1-19-23(26-27-18-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)28-25(19)22-15-9-4-10-16-22/h2-16,19,24-25H,17-18H2,1H3/b26-23-.
What are the key properties of (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine?
(Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine has a molecular weight of 371.48 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine is sourced from PubChem (CID 45269527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).