5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine

C18H19N3Se — CID 137301647

IUPAC5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine
SMILESCC(C)/N=C1/NN=C(c2ccccc2)C(c2ccccc2)[Se]1
InChIInChI=1S/C18H19N3Se/c1-13(2)19-18-21-20-16(14-9-5-3-6-10-14)17(22-18)15-11-7-4-8-12-15/h3-13,17H,1-2H3,(H,19,21)
InChIKeyGNHKAUBUWNXCLL-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.20
Rot. Bonds3

About 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine

5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine (PubChem CID 137301647) has the molecular formula C18H19N3Se and a molecular weight of 356.33 g/mol. Its IUPAC name is 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine.

Molecular Properties

Compound Name5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine
PubChem CID137301647
Molecular FormulaC18H19N3Se
Molecular Weight356.33 g/mol
Exact Mass357.07
IUPAC Name5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine
SMILESCC(C)/N=C1/NN=C(c2ccccc2)C(c2ccccc2)[Se]1
InChIInChI=1S/C18H19N3Se/c1-13(2)19-18-21-20-16(14-9-5-3-6-10-14)17(22-18)15-11-7-4-8-12-15/h3-13,17H,1-2H3,(H,19,21)
InChIKeyGNHKAUBUWNXCLL-UHFFFAOYSA-N
XLogP3.20
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]hydrazine
CID 1276082
(4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole
CID 70317013
3-phenyl-4-prop-2-enyl-4,5-dihydro-1H-pyridazin-6-one
CID 70523161
2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine
CID 11438744
4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 15808935
4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one
CID 3780194
3-methylsulfanyl-5,6-diphenyl-1,6-dihydro-1,2,4-triazine
CID 71338907
(4aR,8aS)-4-phenyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 125477997
(4aS,7aR)-4-phenyl-2,4a,5,6,7,7a-hexahydrocyclopenta[d]pyridazin-1-one
CID 66966167
6-phenoxy-3-phenyl-1,3a,4,5-tetrahydropyrazolo[3,4-b]pyridin-7-ium
CID 163698850
ethane;2,4,5-triphenyl-4H-imidazole
CID 158444509
2-[[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]acetate
CID 7361115

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine?
The IUPAC name of 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine (CID 137301647) is 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine.
What is the SMILES notation for 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine?
The canonical SMILES for 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine is CC(C)/N=C1/NN=C(c2ccccc2)C(c2ccccc2)[Se]1.
What is the InChIKey of 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine?
The InChIKey is GNHKAUBUWNXCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3Se/c1-13(2)19-18-21-20-16(14-9-5-3-6-10-14)17(22-18)15-11-7-4-8-12-15/h3-13,17H,1-2H3,(H,19,21).
What are the key properties of 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine?
5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine has a molecular weight of 356.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-N-propan-2-yl-3,6-dihydro-1,3,4-selenadiazin-2-imine is sourced from PubChem (CID 137301647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).