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

C26H27NO2 — CID 45272918

IUPAC(Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
SMILESCCC1/C(=N\OCc2ccccc2)CC(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C26H27NO2/c1-2-23-24(27-28-19-20-12-6-3-7-13-20)18-25(21-14-8-4-9-15-21)29-26(23)22-16-10-5-11-17-22/h3-17,23,25-26H,2,18-19H2,1H3/b27-24-
InChIKeyMHSMANNOLZHLQL-PNHLSOANSA-N
MW385.51 g/mol
LogP6.49
Rot. Bonds6

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

(Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine (PubChem CID 45272918) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine.

Molecular Properties

Compound Name(Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
PubChem CID45272918
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine
SMILESCCC1/C(=N\OCc2ccccc2)CC(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C26H27NO2/c1-2-23-24(27-28-19-20-12-6-3-7-13-20)18-25(21-14-8-4-9-15-21)29-26(23)22-16-10-5-11-17-22/h3-17,23,25-26H,2,18-19H2,1H3/b27-24-
InChIKeyMHSMANNOLZHLQL-PNHLSOANSA-N
XLogP6.49
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.49
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-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine?
The IUPAC name of (Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine (CID 45272918) is (Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine.
What is the SMILES notation for (Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine?
The canonical SMILES for (Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine is CCC1/C(=N\OCc2ccccc2)CC(c2ccccc2)OC1c1ccccc1.
What is the InChIKey of (Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine?
The InChIKey is MHSMANNOLZHLQL-PNHLSOANSA-N. The full InChI is InChI=1S/C26H27NO2/c1-2-23-24(27-28-19-20-12-6-3-7-13-20)18-25(21-14-8-4-9-15-21)29-26(23)22-16-10-5-11-17-22/h3-17,23,25-26H,2,18-19H2,1H3/b27-24-.
What are the key properties of (Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine?
(Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine has a molecular weight of 385.51 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-2,6-diphenyl-N-phenylmethoxyoxan-4-imine is sourced from PubChem (CID 45272918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).