9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one

C139H95N7O25 — CID 160601853

IUPAC9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one
SMILESCOc1cc2c(ccc3occ(-c4ccccn4)c(=O)c32)cc1C.COc1ccc2ccc3occ(-c4ccccn4)c(=O)c3c2c1OC.Cc1ccc2c(ccc3occ(-c4ccccn4)c(=O)c32)c1C.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCCO4
InChIInChI=1S/3C20H13NO4.C20H15NO4.C20H15NO3.C20H15NO2.C19H11NO4/c22-19-14(15-3-1-2-8-21-15)11-25-16-6-5-13-12(18(16)19)4-7-17-20(13)24-10-9-23-17;22-19-13(14-3-1-2-8-21-14)11-25-15-6-4-12-5-7-16-20(17(12)18(15)19)24-10-9-23-16;22-20-14(15-3-1-2-6-21-15)11-25-16-5-4-12-9-17-18(24-8-7-23-17)10-13(12)19(16)20;1-23-16-9-7-12-6-8-15-18(17(12)20(16)24-2)19(22)13(11-25-15)14-5-3-4-10-21-14;1-12-9-13-6-7-17-19(14(13)10-18(12)23-2)20(22)15(11-24-17)16-5-3-4-8-21-16;1-12-6-7-15-14(13(12)2)8-9-18-19(15)20(22)16(11-23-18)17-5-3-4-10-21-17;21-18-13(14-3-1-2-8-20-14)9-22-15-6-5-12-11(17(15)18)4-7-16-19(12)24-10-23-16/h2*1-8,11H,9-10H2;1-6,9-11H,7-8H2;3-11H,1-2H3;3-11H,1-2H3;3-11H,1-2H3;1-9H,10H2
InChIKeyREJLBEOOIWXEJK-UHFFFAOYSA-N
MW2263.31 g/mol
LogP28.05
Rot. Bonds10

About 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one

9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one (PubChem CID 160601853) has the molecular formula C139H95N7O25 and a molecular weight of 2263.31 g/mol. Its IUPAC name is 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one.

Molecular Properties

Compound Name9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one
PubChem CID160601853
Molecular FormulaC139H95N7O25
Molecular Weight2263.31 g/mol
Exact Mass2261.64
IUPAC Name9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one
SMILESCOc1cc2c(ccc3occ(-c4ccccn4)c(=O)c32)cc1C.COc1ccc2ccc3occ(-c4ccccn4)c(=O)c3c2c1OC.Cc1ccc2c(ccc3occ(-c4ccccn4)c(=O)c32)c1C.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCCO4
InChIInChI=1S/3C20H13NO4.C20H15NO4.C20H15NO3.C20H15NO2.C19H11NO4/c22-19-14(15-3-1-2-8-21-15)11-25-16-6-5-13-12(18(16)19)4-7-17-20(13)24-10-9-23-17;22-19-13(14-3-1-2-8-21-14)11-25-15-6-4-12-5-7-16-20(17(12)18(15)19)24-10-9-23-16;22-20-14(15-3-1-2-6-21-15)11-25-16-5-4-12-9-17-18(24-8-7-23-17)10-13(12)19(16)20;1-23-16-9-7-12-6-8-15-18(17(12)20(16)24-2)19(22)13(11-25-15)14-5-3-4-10-21-14;1-12-9-13-6-7-17-19(14(13)10-18(12)23-2)20(22)15(11-24-17)16-5-3-4-8-21-16;1-12-6-7-15-14(13(12)2)8-9-18-19(15)20(22)16(11-23-18)17-5-3-4-10-21-17;21-18-13(14-3-1-2-8-20-14)9-22-15-6-5-12-11(17(15)18)4-7-16-19(12)24-10-23-16/h2*1-8,11H,9-10H2;1-6,9-11H,7-8H2;3-11H,1-2H3;3-11H,1-2H3;3-11H,1-2H3;1-9H,10H2
InChIKeyREJLBEOOIWXEJK-UHFFFAOYSA-N
XLogP28.05
TPSA403.23 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds10
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002263.31
LogP ≤ 528.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one?
The IUPAC name of 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one (CID 160601853) is 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one.
What is the SMILES notation for 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one?
The canonical SMILES for 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one is COc1cc2c(ccc3occ(-c4ccccn4)c(=O)c32)cc1C.COc1ccc2ccc3occ(-c4ccccn4)c(=O)c3c2c1OC.Cc1ccc2c(ccc3occ(-c4ccccn4)c(=O)c32)c1C.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCCO4.
What is the InChIKey of 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one?
The InChIKey is REJLBEOOIWXEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H13NO4.C20H15NO4.C20H15NO3.C20H15NO2.C19H11NO4/c22-19-14(15-3-1-2-8-21-15)11-25-16-6-5-13-12(18(16)19)4-7-17-20(13)24-10-9-23-17;22-19-13(14-3-1-2-8-21-14)11-25-15-6-4-12-5-7-16-20(17(12)18(15)19)24-10-9-23-16;22-20-14(15-3-1-2-6-21-15)11-25-16-5-4-12-9-17-18(24-8-7-23-17)10-13(12)19(16)20;1-23-16-9-7-12-6-8-15-18(17(12)20(16)24-2)19(22)13(11-25-15)14-5-3-4-10-21-14;1-12-9-13-6-7-17-19(14(13)10-18(12)23-2)20(22)15(11-24-17)16-5-3-4-8-21-16;1-12-6-7-15-14(13(12)2)8-9-18-19(15)20(22)16(11-23-18)17-5-3-4-10-21-17;21-18-13(14-3-1-2-8-20-14)9-22-15-6-5-12-11(17(15)18)4-7-16-19(12)24-10-23-16/h2*1-8,11H,9-10H2;1-6,9-11H,7-8H2;3-11H,1-2H3;3-11H,1-2H3;3-11H,1-2H3;1-9H,10H2.
What are the key properties of 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one?
9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one has a molecular weight of 2263.31 g/mol, XLogP of 28.05, 10 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-2-pyridin-2-ylbenzo[f]chromen-1-one;7,8-dimethyl-2-pyridin-2-ylbenzo[f]chromen-1-one;9-methoxy-8-methyl-2-pyridin-2-ylbenzo[f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-pyridin-2-yl-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one is sourced from PubChem (CID 160601853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).