1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one

C100H96N4O8 — CID 157414342

IUPAC1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
SMILESCc1cc(-c2cc3c(cc2/C=C/c2ccccc2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2/C=C/c2ccccc2)CCC(=O)C3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2C(C)c2ccccc2)CCC(=O)C3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2CCc2ccccc2)CCC(=O)C3)cn(C)c1=O
InChIInChI=1S/2C25H25NO2.2C25H23NO2/c1-16-13-20(15-26(3)25(16)28)23-11-9-19-14-21(27)10-12-22(19)24(23)17(2)18-7-5-4-6-8-18;2*1-17-14-20(16-26(2)25(17)28)23-12-9-19-15-21(27)10-13-22(19)24(23)11-8-18-6-4-3-5-7-18;1-17-12-22(16-26(2)25(17)28)24-15-19-10-11-23(27)14-21(19)13-20(24)9-8-18-6-4-3-5-7-18/h4-9,11,13,15,17H,10,12,14H2,1-3H3;3-7,9,12,14,16H,8,10-11,13,15H2,1-2H3;3-9,11-12,14,16H,10,13,15H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3/b;;11-8+;9-8+
InChIKeyBOQXKOISPRKIBE-UZEOEBQSSA-N
MW1481.89 g/mol
LogP17.95
Rot. Bonds13

About 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one

1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one (PubChem CID 157414342) has the molecular formula C100H96N4O8 and a molecular weight of 1481.89 g/mol. Its IUPAC name is 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
PubChem CID157414342
Molecular FormulaC100H96N4O8
Molecular Weight1481.89 g/mol
Exact Mass1480.72
IUPAC Name1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
SMILESCc1cc(-c2cc3c(cc2/C=C/c2ccccc2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2/C=C/c2ccccc2)CCC(=O)C3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2C(C)c2ccccc2)CCC(=O)C3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2CCc2ccccc2)CCC(=O)C3)cn(C)c1=O
InChIInChI=1S/2C25H25NO2.2C25H23NO2/c1-16-13-20(15-26(3)25(16)28)23-11-9-19-14-21(27)10-12-22(19)24(23)17(2)18-7-5-4-6-8-18;2*1-17-14-20(16-26(2)25(17)28)23-12-9-19-15-21(27)10-13-22(19)24(23)11-8-18-6-4-3-5-7-18;1-17-12-22(16-26(2)25(17)28)24-15-19-10-11-23(27)14-21(19)13-20(24)9-8-18-6-4-3-5-7-18/h4-9,11,13,15,17H,10,12,14H2,1-3H3;3-7,9,12,14,16H,8,10-11,13,15H2,1-2H3;3-9,11-12,14,16H,10,13,15H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3/b;;11-8+;9-8+
InChIKeyBOQXKOISPRKIBE-UZEOEBQSSA-N
XLogP17.95
TPSA156.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001481.89
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one (CID 157414342) is 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one is Cc1cc(-c2cc3c(cc2/C=C/c2ccccc2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2/C=C/c2ccccc2)CCC(=O)C3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2C(C)c2ccccc2)CCC(=O)C3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2CCc2ccccc2)CCC(=O)C3)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The InChIKey is BOQXKOISPRKIBE-UZEOEBQSSA-N. The full InChI is InChI=1S/2C25H25NO2.2C25H23NO2/c1-16-13-20(15-26(3)25(16)28)23-11-9-19-14-21(27)10-12-22(19)24(23)17(2)18-7-5-4-6-8-18;2*1-17-14-20(16-26(2)25(17)28)23-12-9-19-15-21(27)10-13-22(19)24(23)11-8-18-6-4-3-5-7-18;1-17-12-22(16-26(2)25(17)28)24-15-19-10-11-23(27)14-21(19)13-20(24)9-8-18-6-4-3-5-7-18/h4-9,11,13,15,17H,10,12,14H2,1-3H3;3-7,9,12,14,16H,8,10-11,13,15H2,1-2H3;3-9,11-12,14,16H,10,13,15H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3/b;;11-8+;9-8+.
What are the key properties of 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one has a molecular weight of 1481.89 g/mol, XLogP of 17.95, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[6-oxo-1-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-[(E)-2-phenylethenyl]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(1-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(2-phenylethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one is sourced from PubChem (CID 157414342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).