1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one

C24H23NO3 — CID 3121604

IUPAC1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one
SMILESCC1(C)OC(=CC=CC(=O)C=C(N)c2ccccc2)C=C(c2ccccc2)O1
InChIInChI=1S/C24H23NO3/c1-24(2)27-21(17-23(28-24)19-12-7-4-8-13-19)15-9-14-20(26)16-22(25)18-10-5-3-6-11-18/h3-17H,25H2,1-2H3
InChIKeyJKTDDLQJKLQVLD-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.82
Rot. Bonds5

About 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one

1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one (PubChem CID 3121604) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one.

Molecular Properties

Compound Name1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one
PubChem CID3121604
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one
SMILESCC1(C)OC(=CC=CC(=O)C=C(N)c2ccccc2)C=C(c2ccccc2)O1
InChIInChI=1S/C24H23NO3/c1-24(2)27-21(17-23(28-24)19-12-7-4-8-13-19)15-9-14-20(26)16-22(25)18-10-5-3-6-11-18/h3-17H,25H2,1-2H3
InChIKeyJKTDDLQJKLQVLD-UHFFFAOYSA-N
XLogP4.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one?
The IUPAC name of 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one (CID 3121604) is 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one.
What is the SMILES notation for 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one?
The canonical SMILES for 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one is CC1(C)OC(=CC=CC(=O)C=C(N)c2ccccc2)C=C(c2ccccc2)O1.
What is the InChIKey of 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one?
The InChIKey is JKTDDLQJKLQVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-24(2)27-21(17-23(28-24)19-12-7-4-8-13-19)15-9-14-20(26)16-22(25)18-10-5-3-6-11-18/h3-17H,25H2,1-2H3.
What are the key properties of 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one?
1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one has a molecular weight of 373.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)-1-phenylhexa-1,4-dien-3-one is sourced from PubChem (CID 3121604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).