2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one

C30H22N2O2 — CID 11464898

IUPAC2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one
SMILESN/C(=C(/c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)c(=O)o1)c1ccccc1
InChIInChI=1S/C30H22N2O2/c31-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-32-28(24-19-11-4-12-20-24)26(30(33)34-29)22-15-7-2-8-16-22/h1-20H,31H2/b27-25-
InChIKeyDJRPKXCGLMWECL-RFBIWTDZSA-N
MW442.52 g/mol
LogP6.24
Rot. Bonds5

About 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one

2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one (PubChem CID 11464898) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one
PubChem CID11464898
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one
SMILESN/C(=C(/c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)c(=O)o1)c1ccccc1
InChIInChI=1S/C30H22N2O2/c31-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-32-28(24-19-11-4-12-20-24)26(30(33)34-29)22-15-7-2-8-16-22/h1-20H,31H2/b27-25-
InChIKeyDJRPKXCGLMWECL-RFBIWTDZSA-N
XLogP6.24
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2'-phenylspiro[cyclohexane-1,5'-naphtho[1,2-d][1,3]oxazin]-4'(6'H)-one
CID 555472
4,5-Diphenyl-2-(trifluoromethyl)-1,3-oxazin-6-one
CID 20074178
2,4,5-Triphenyl-6H-1,3-oxazin-6-one
CID 12319338
[(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate
CID 12687432
[(E)-1,2-diphenyl-2-(1-phenylethylideneamino)ethenyl] benzoate
CID 13619650
5-Cyclohexyl-2-phenyl-5,6-dihydro-4h-naphtho-[1,2-d][1,3]oxazin-4-one
CID 45136566
Ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate
CID 91171110
Ethyl 3-amino-2,3-diphenylprop-2-enoate
CID 69986300
3-benzyl-6-oxo-5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
CID 11211221
5-Benzyl-2,4-diphenyl-1,3-oxazin-6-one
CID 14244989
2-Benzoyl-5-benzyl-4-phenyl-1,3-oxazin-6-one
CID 14244995
5-Benzoyl-2,4-diphenyl-6H-1,3-oxazin-6-one
CID 71390039

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one?
The IUPAC name of 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one (CID 11464898) is 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one.
What is the SMILES notation for 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one?
The canonical SMILES for 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one is N/C(=C(/c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)c(=O)o1)c1ccccc1.
What is the InChIKey of 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one?
The InChIKey is DJRPKXCGLMWECL-RFBIWTDZSA-N. The full InChI is InChI=1S/C30H22N2O2/c31-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-32-28(24-19-11-4-12-20-24)26(30(33)34-29)22-15-7-2-8-16-22/h1-20H,31H2/b27-25-.
What are the key properties of 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one?
2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one has a molecular weight of 442.52 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-amino-1,2-diphenylethenyl]-4,5-diphenyl-1,3-oxazin-6-one is sourced from PubChem (CID 11464898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).