6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione

C38H34N4O10 — CID 118603992

IUPAC6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione
SMILESCN1C(=O)C2=C(CCC(C(O)(C3C=CC4=C(C3)C(=O)N(C)C4=O)C(O)(C3C=CC4=C(C3)C(=O)N(C)C4=O)C3C=CC4=C(C3)C(=O)N(C)C4=O)=C2)C1=O
InChIInChI=1S/C38H34N4O10/c1-39-29(43)21-9-5-17(13-25(21)33(39)47)37(51,18-6-10-22-26(14-18)34(48)40(2)30(22)44)38(52,19-7-11-23-27(15-19)35(49)41(3)31(23)45)20-8-12-24-28(16-20)36(50)42(4)32(24)46/h5-7,9-11,16-19,51-52H,8,12-15H2,1-4H3
InChIKeyFIEOLSDCGXULIR-UHFFFAOYSA-N
MW706.71 g/mol
LogP0.08
Rot. Bonds5

About 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione

6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione (PubChem CID 118603992) has the molecular formula C38H34N4O10 and a molecular weight of 706.71 g/mol. Its IUPAC name is 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione
PubChem CID118603992
Molecular FormulaC38H34N4O10
Molecular Weight706.71 g/mol
Exact Mass706.23
IUPAC Name6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione
SMILESCN1C(=O)C2=C(CCC(C(O)(C3C=CC4=C(C3)C(=O)N(C)C4=O)C(O)(C3C=CC4=C(C3)C(=O)N(C)C4=O)C3C=CC4=C(C3)C(=O)N(C)C4=O)=C2)C1=O
InChIInChI=1S/C38H34N4O10/c1-39-29(43)21-9-5-17(13-25(21)33(39)47)37(51,18-6-10-22-26(14-18)34(48)40(2)30(22)44)38(52,19-7-11-23-27(15-19)35(49)41(3)31(23)45)20-8-12-24-28(16-20)36(50)42(4)32(24)46/h5-7,9-11,16-19,51-52H,8,12-15H2,1-4H3
InChIKeyFIEOLSDCGXULIR-UHFFFAOYSA-N
XLogP0.08
TPSA189.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.71
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione (CID 118603992) is 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione is CN1C(=O)C2=C(CCC(C(O)(C3C=CC4=C(C3)C(=O)N(C)C4=O)C(O)(C3C=CC4=C(C3)C(=O)N(C)C4=O)C3C=CC4=C(C3)C(=O)N(C)C4=O)=C2)C1=O.
What is the InChIKey of 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione?
The InChIKey is FIEOLSDCGXULIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O10/c1-39-29(43)21-9-5-17(13-25(21)33(39)47)37(51,18-6-10-22-26(14-18)34(48)40(2)30(22)44)38(52,19-7-11-23-27(15-19)35(49)41(3)31(23)45)20-8-12-24-28(16-20)36(50)42(4)32(24)46/h5-7,9-11,16-19,51-52H,8,12-15H2,1-4H3.
What are the key properties of 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione?
6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione has a molecular weight of 706.71 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,2-dihydroxy-1,2,2-tris(2-methyl-1,3-dioxo-4,5-dihydroisoindol-5-yl)ethyl]-2-methyl-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 118603992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).