5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

C82H44N4O22 — CID 160733859

IUPAC5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCc1cccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)c1.Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)c1.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C25H16N2O5.C24H16N2O4.C17H6O7.C16H6O6/c1-13-4-3-5-16(10-13)27-24(31)18-9-7-15(12-20(18)25(27)32)21(28)14-6-8-17-19(11-14)23(30)26(2)22(17)29;1-13-4-3-5-16(10-13)26-23(29)18-9-7-15(12-20(18)24(26)30)14-6-8-17-19(11-14)22(28)25(2)21(17)27;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h3-12H,1-2H3;3-12H,1-2H3;1-6H;1-6H
InChIKeyRURSVOIPXKKCOA-UHFFFAOYSA-N
MW1437.26 g/mol
LogP10.45
Rot. Bonds8

About 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (PubChem CID 160733859) has the molecular formula C82H44N4O22 and a molecular weight of 1437.26 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
PubChem CID160733859
Molecular FormulaC82H44N4O22
Molecular Weight1437.26 g/mol
Exact Mass1436.24
IUPAC Name5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCc1cccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)c1.Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)c1.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C25H16N2O5.C24H16N2O4.C17H6O7.C16H6O6/c1-13-4-3-5-16(10-13)27-24(31)18-9-7-15(12-20(18)25(27)32)21(28)14-6-8-17-19(11-14)23(30)26(2)22(17)29;1-13-4-3-5-16(10-13)26-23(29)18-9-7-15(12-20(18)24(26)30)14-6-8-17-19(11-14)22(28)25(2)21(17)27;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h3-12H,1-2H3;3-12H,1-2H3;1-6H;1-6H
InChIKeyRURSVOIPXKKCOA-UHFFFAOYSA-N
XLogP10.45
TPSA357.14 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.26
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The IUPAC name of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (CID 160733859) is 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is Cc1cccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)c1.Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)c1.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21.
What is the InChIKey of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The InChIKey is RURSVOIPXKKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O5.C24H16N2O4.C17H6O7.C16H6O6/c1-13-4-3-5-16(10-13)27-24(31)18-9-7-15(12-20(18)25(27)32)21(28)14-6-8-17-19(11-14)23(30)26(2)22(17)29;1-13-4-3-5-16(10-13)26-23(29)18-9-7-15(12-20(18)24(26)30)14-6-8-17-19(11-14)22(28)25(2)21(17)27;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h3-12H,1-2H3;3-12H,1-2H3;1-6H;1-6H.
What are the key properties of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione has a molecular weight of 1437.26 g/mol, XLogP of 10.45, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 160733859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).