1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide

C21H19NOSe — CID 139265449

IUPAC1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)C(C[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOSe/c23-22(16-18-10-4-1-5-11-18)21(19-12-6-2-7-13-19)17-24-20-14-8-3-9-15-20/h1-16,21H,17H2/b22-16-
InChIKeyYVKOZRAXVIJZRB-JWGURIENSA-N
MW380.35 g/mol
LogP3.81
Rot. Bonds6

About 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide

1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide (PubChem CID 139265449) has the molecular formula C21H19NOSe and a molecular weight of 380.35 g/mol. Its IUPAC name is 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide.

Molecular Properties

Compound Name1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide
PubChem CID139265449
Molecular FormulaC21H19NOSe
Molecular Weight380.35 g/mol
Exact Mass381.06
IUPAC Name1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)C(C[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOSe/c23-22(16-18-10-4-1-5-11-18)21(19-12-6-2-7-13-19)17-24-20-14-8-3-9-15-20/h1-16,21H,17H2/b22-16-
InChIKeyYVKOZRAXVIJZRB-JWGURIENSA-N
XLogP3.81
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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1-phenyl-N-(1-phenylethyl)methanimine oxide
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1-phenyl-N-[(1S)-1-phenylethyl]methanimine oxide
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1-phenyl-N-(1-pyridin-4-ylbut-3-enyl)methanimine oxide
CID 5336966
1-phenyl-N-[(1S)-1-pyridin-4-ylbut-3-enyl]methanimine oxide
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1-phenyl-N-propan-2-ylmethanimine oxide
CID 10397124
2-methylpropylselanylbenzene
CID 12544088
(2-phenyl-2-phenylmethoxyethyl)selanylbenzene
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N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine oxide
CID 14642521
N-(1-phenyl-2-phenylselanylethyl)aniline
CID 172557250
1-(3-iodophenyl)-2-phenylselanylethanol
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide?
The IUPAC name of 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide (CID 139265449) is 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide.
What is the SMILES notation for 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide?
The canonical SMILES for 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide is [O-]/[N+](=C\c1ccccc1)C(C[Se]c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide?
The InChIKey is YVKOZRAXVIJZRB-JWGURIENSA-N. The full InChI is InChI=1S/C21H19NOSe/c23-22(16-18-10-4-1-5-11-18)21(19-12-6-2-7-13-19)17-24-20-14-8-3-9-15-20/h1-16,21H,17H2/b22-16-.
What are the key properties of 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide?
1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide has a molecular weight of 380.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-phenyl-2-phenylselanylethyl)methanimine oxide is sourced from PubChem (CID 139265449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).