2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione

C137H126N8O25 — CID 157210152

IUPAC2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCC(C)CON1C(=O)c2cccc3cccc(c23)C1=O.CCCON1C(=O)C=CC1=O.CCCON1C(=O)c2cccc3cccc(c23)C1=O.COc1ccc(CON2C(=O)c3ccccc3C2=O)c2ccccc12.O=C1C=C(c2ccccc2)C(=O)N1OCc1ccccc1.O=C1C=CC(=O)N1OCc1ccccc1.O=C1c2cccc3cccc(c23)C(=O)N1OCc1ccccc1.O=C1c2ccccc2C(=O)N1OCc1cccc2ccccc12
InChIInChI=1S/C29H41NO3.C20H15NO4.2C19H13NO3.C17H13NO3.C15H13NO3.C11H9NO3.C7H9NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(2)22-33-30-28(31)25-20-15-18-24-19-16-21-26(27(24)25)29(30)32;1-24-18-11-10-13(14-6-2-3-7-15(14)18)12-25-21-19(22)16-8-4-5-9-17(16)20(21)23;21-18-16-10-3-4-11-17(16)19(22)20(18)23-12-14-8-5-7-13-6-1-2-9-15(13)14;21-18-15-10-4-8-14-9-5-11-16(17(14)15)19(22)20(18)23-12-13-6-2-1-3-7-13;19-16-11-15(14-9-5-2-6-10-14)17(20)18(16)21-12-13-7-3-1-4-8-13;1-2-9-19-16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18;13-10-6-7-11(14)12(10)15-8-9-4-2-1-3-5-9;1-2-5-11-8-6(9)3-4-7(8)10/h15-16,18-21,23H,3-14,17,22H2,1-2H3;2-11H,12H2,1H3;2*1-11H,12H2;1-11H,12H2;3-8H,2,9H2,1H3;1-7H,8H2;3-4H,2,5H2,1H3
InChIKeyARULKMZHXUMDRI-UHFFFAOYSA-N
MW2284.55 g/mol
LogP25.45
Rot. Bonds39

About 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione

2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione (PubChem CID 157210152) has the molecular formula C137H126N8O25 and a molecular weight of 2284.55 g/mol. Its IUPAC name is 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione.

Molecular Properties

Compound Name2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione
PubChem CID157210152
Molecular FormulaC137H126N8O25
Molecular Weight2284.55 g/mol
Exact Mass2282.88
IUPAC Name2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCC(C)CON1C(=O)c2cccc3cccc(c23)C1=O.CCCON1C(=O)C=CC1=O.CCCON1C(=O)c2cccc3cccc(c23)C1=O.COc1ccc(CON2C(=O)c3ccccc3C2=O)c2ccccc12.O=C1C=C(c2ccccc2)C(=O)N1OCc1ccccc1.O=C1C=CC(=O)N1OCc1ccccc1.O=C1c2cccc3cccc(c23)C(=O)N1OCc1ccccc1.O=C1c2ccccc2C(=O)N1OCc1cccc2ccccc12
InChIInChI=1S/C29H41NO3.C20H15NO4.2C19H13NO3.C17H13NO3.C15H13NO3.C11H9NO3.C7H9NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(2)22-33-30-28(31)25-20-15-18-24-19-16-21-26(27(24)25)29(30)32;1-24-18-11-10-13(14-6-2-3-7-15(14)18)12-25-21-19(22)16-8-4-5-9-17(16)20(21)23;21-18-16-10-3-4-11-17(16)19(22)20(18)23-12-14-8-5-7-13-6-1-2-9-15(13)14;21-18-15-10-4-8-14-9-5-11-16(17(14)15)19(22)20(18)23-12-13-6-2-1-3-7-13;19-16-11-15(14-9-5-2-6-10-14)17(20)18(16)21-12-13-7-3-1-4-8-13;1-2-9-19-16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18;13-10-6-7-11(14)12(10)15-8-9-4-2-1-3-5-9;1-2-5-11-8-6(9)3-4-7(8)10/h15-16,18-21,23H,3-14,17,22H2,1-2H3;2-11H,12H2,1H3;2*1-11H,12H2;1-11H,12H2;3-8H,2,9H2,1H3;1-7H,8H2;3-4H,2,5H2,1H3
InChIKeyARULKMZHXUMDRI-UHFFFAOYSA-N
XLogP25.45
TPSA382.11 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002284.55
LogP ≤ 525.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione with MolForge

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Related Compounds

2-[(4-Methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
CID 54344846
2-[(4-Methoxyphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
CID 90813976
(1,3-Dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite
CID 158027711
(1,3-Dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) hexadecyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite
CID 161672872
1-Ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione
CID 91417553

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione?
The IUPAC name of 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione (CID 157210152) is 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione.
What is the SMILES notation for 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione?
The canonical SMILES for 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione is CCCCCCCCCCCCCCC(C)CON1C(=O)c2cccc3cccc(c23)C1=O.CCCON1C(=O)C=CC1=O.CCCON1C(=O)c2cccc3cccc(c23)C1=O.COc1ccc(CON2C(=O)c3ccccc3C2=O)c2ccccc12.O=C1C=C(c2ccccc2)C(=O)N1OCc1ccccc1.O=C1C=CC(=O)N1OCc1ccccc1.O=C1c2cccc3cccc(c23)C(=O)N1OCc1ccccc1.O=C1c2ccccc2C(=O)N1OCc1cccc2ccccc12.
What is the InChIKey of 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione?
The InChIKey is ARULKMZHXUMDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO3.C20H15NO4.2C19H13NO3.C17H13NO3.C15H13NO3.C11H9NO3.C7H9NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(2)22-33-30-28(31)25-20-15-18-24-19-16-21-26(27(24)25)29(30)32;1-24-18-11-10-13(14-6-2-3-7-15(14)18)12-25-21-19(22)16-8-4-5-9-17(16)20(21)23;21-18-16-10-3-4-11-17(16)19(22)20(18)23-12-14-8-5-7-13-6-1-2-9-15(13)14;21-18-15-10-4-8-14-9-5-11-16(17(14)15)19(22)20(18)23-12-13-6-2-1-3-7-13;19-16-11-15(14-9-5-2-6-10-14)17(20)18(16)21-12-13-7-3-1-4-8-13;1-2-9-19-16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18;13-10-6-7-11(14)12(10)15-8-9-4-2-1-3-5-9;1-2-5-11-8-6(9)3-4-7(8)10/h15-16,18-21,23H,3-14,17,22H2,1-2H3;2-11H,12H2,1H3;2*1-11H,12H2;1-11H,12H2;3-8H,2,9H2,1H3;1-7H,8H2;3-4H,2,5H2,1H3.
What are the key properties of 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione?
2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione has a molecular weight of 2284.55 g/mol, XLogP of 25.45, 39 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione is sourced from PubChem (CID 157210152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).