1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)

C137H93N15O32S3 — CID 159114278

IUPAC1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)
SMILESCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3S(=O)(=O)O)C4=O)cc2C1=O.CCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)O)cc3)C4=O)cc2C1=O.CCN1C(=O)c2ccc(NC(=O)Nc3cccc(S(=O)(=O)O)c3)cc2C1=O.O=C1Cc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2N1.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21
InChIInChI=1S/C25H16N2O8S.C24H16N2O7S.3C18H12N2O2.C17H15N3O6S.C17H10N2O5/c1-2-26-22(29)17-9-3-13(11-19(17)23(26)30)21(28)14-4-10-18-20(12-14)25(32)27(24(18)31)15-5-7-16(8-6-15)36(33,34)35;1-2-25-21(27)15-9-7-13(11-17(15)22(25)28)14-8-10-16-18(12-14)24(30)26(23(16)29)19-5-3-4-6-20(19)34(31,32)33;3*21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;1-2-20-15(21)13-7-6-11(9-14(13)16(20)22)19-17(23)18-10-4-3-5-12(8-10)27(24,25)26;20-14-6-8-1-3-10(7-13(8)18-14)19-15(21)11-4-2-9(17(23)24)5-12(11)16(19)22/h3-12H,2H2,1H3,(H,33,34,35);3-12H,2H2,1H3,(H,31,32,33);3*1-10,19,22H;3-9H,2H2,1H3,(H2,18,19,23)(H,24,25,26);1-5,7H,6H2,(H,18,20)(H,23,24)
InChIKeyKFFWQAGQUQQGJV-UHFFFAOYSA-N
MW2557.52 g/mol
LogP19.61
Rot. Bonds21

About 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)

1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) (PubChem CID 159114278) has the molecular formula C137H93N15O32S3 and a molecular weight of 2557.52 g/mol. Its IUPAC name is 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one).

Molecular Properties

Compound Name1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)
PubChem CID159114278
Molecular FormulaC137H93N15O32S3
Molecular Weight2557.52 g/mol
Exact Mass2555.53
IUPAC Name1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)
SMILESCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3S(=O)(=O)O)C4=O)cc2C1=O.CCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)O)cc3)C4=O)cc2C1=O.CCN1C(=O)c2ccc(NC(=O)Nc3cccc(S(=O)(=O)O)c3)cc2C1=O.O=C1Cc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2N1.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21
InChIInChI=1S/C25H16N2O8S.C24H16N2O7S.3C18H12N2O2.C17H15N3O6S.C17H10N2O5/c1-2-26-22(29)17-9-3-13(11-19(17)23(26)30)21(28)14-4-10-18-20(12-14)25(32)27(24(18)31)15-5-7-16(8-6-15)36(33,34)35;1-2-25-21(27)15-9-7-13(11-17(15)22(25)28)14-8-10-16-18(12-14)24(30)26(23(16)29)19-5-3-4-6-20(19)34(31,32)33;3*21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;1-2-20-15(21)13-7-6-11(9-14(13)16(20)22)19-17(23)18-10-4-3-5-12(8-10)27(24,25)26;20-14-6-8-1-3-10(7-13(8)18-14)19-15(21)11-4-2-9(17(23)24)5-12(11)16(19)22/h3-12H,2H2,1H3,(H,33,34,35);3-12H,2H2,1H3,(H,31,32,33);3*1-10,19,22H;3-9H,2H2,1H3,(H2,18,19,23)(H,24,25,26);1-5,7H,6H2,(H,18,20)(H,23,24)
InChIKeyKFFWQAGQUQQGJV-UHFFFAOYSA-N
XLogP19.61
TPSA708.34 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002557.52
LogP ≤ 519.61
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) with MolForge

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Related Compounds

2-[[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)amino]-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid;2-[[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid;3-[[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;methane
CID 157404810
2-[[2-[(2-ethyl-1,3-dioxoisoindol-5-yl)amino]-6-oxo-1H-1,3,5-triazin-4-yl]amino]benzenesulfonic acid;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 136614232
4-(9-amino-1,4-dioxo-9,9a-dihydro-2H-benzo[f]isoindol-3-yl)benzenesulfonic acid;1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;ethane;2-ethyl-1,3-dioxoisoindole-5-carboxylic acid;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;2-hydroxy-5-[1-(4-hydroxy-3-sulfophenyl)-3,6-dioxo-2,5-dihydrocyclopenta[c]pyrrol-4-yl]benzenesulfonic acid;methane
CID 157170279
2-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-3-sulfophenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 25233513
2-(4-anilinophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 5214128
3-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
2-ethyl-5-phenylisoindole-1,3-dione
CID 58482896
1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide
CID 86610441
4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
CID 20629329
N-[(2-oxo-1,3-dihydroindol-6-yl)carbamoyl]benzamide
CID 165033132

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)?
The IUPAC name of 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) (CID 159114278) is 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one).
What is the SMILES notation for 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)?
The canonical SMILES for 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) is CCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3S(=O)(=O)O)C4=O)cc2C1=O.CCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)O)cc3)C4=O)cc2C1=O.CCN1C(=O)c2ccc(NC(=O)Nc3cccc(S(=O)(=O)O)c3)cc2C1=O.O=C1Cc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2N1.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.
What is the InChIKey of 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)?
The InChIKey is KFFWQAGQUQQGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O8S.C24H16N2O7S.3C18H12N2O2.C17H15N3O6S.C17H10N2O5/c1-2-26-22(29)17-9-3-13(11-19(17)23(26)30)21(28)14-4-10-18-20(12-14)25(32)27(24(18)31)15-5-7-16(8-6-15)36(33,34)35;1-2-25-21(27)15-9-7-13(11-17(15)22(25)28)14-8-10-16-18(12-14)24(30)26(23(16)29)19-5-3-4-6-20(19)34(31,32)33;3*21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;1-2-20-15(21)13-7-6-11(9-14(13)16(20)22)19-17(23)18-10-4-3-5-12(8-10)27(24,25)26;20-14-6-8-1-3-10(7-13(8)18-14)19-15(21)11-4-2-9(17(23)24)5-12(11)16(19)22/h3-12H,2H2,1H3,(H,33,34,35);3-12H,2H2,1H3,(H,31,32,33);3*1-10,19,22H;3-9H,2H2,1H3,(H2,18,19,23)(H,24,25,26);1-5,7H,6H2,(H,18,20)(H,23,24).
What are the key properties of 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one)?
1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) has a molecular weight of 2557.52 g/mol, XLogP of 19.61, 21 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;4-[5-(2-ethyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;tris(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one) is sourced from PubChem (CID 159114278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).