5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione

C31H26N2O5 — CID 134222453

IUPAC5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(C)(N1C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C1=O)CC2(C)C
InChIInChI=1S/C31H26N2O5/c1-16-6-11-23-24(12-16)31(4,15-30(23,2)3)33-28(37)20-10-8-18(14-22(20)29(33)38)25(34)17-7-9-19-21(13-17)27(36)32(5)26(19)35/h6-14H,15H2,1-5H3
InChIKeyIUZIBJXSHKXRHC-UHFFFAOYSA-N
MW506.56 g/mol
LogP4.64
Rot. Bonds3

About 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione

5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione (PubChem CID 134222453) has the molecular formula C31H26N2O5 and a molecular weight of 506.56 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione
PubChem CID134222453
Molecular FormulaC31H26N2O5
Molecular Weight506.56 g/mol
Exact Mass506.18
IUPAC Name5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(C)(N1C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C1=O)CC2(C)C
InChIInChI=1S/C31H26N2O5/c1-16-6-11-23-24(12-16)31(4,15-30(23,2)3)33-28(37)20-10-8-18(14-22(20)29(33)38)25(34)17-7-9-19-21(13-17)27(36)32(5)26(19)35/h6-14H,15H2,1-5H3
InChIKeyIUZIBJXSHKXRHC-UHFFFAOYSA-N
XLogP4.64
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione (CID 134222453) is 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(C)(N1C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C1=O)CC2(C)C.
What is the InChIKey of 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
The InChIKey is IUZIBJXSHKXRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O5/c1-16-6-11-23-24(12-16)31(4,15-30(23,2)3)33-28(37)20-10-8-18(14-22(20)29(33)38)25(34)17-7-9-19-21(13-17)27(36)32(5)26(19)35/h6-14H,15H2,1-5H3.
What are the key properties of 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione has a molecular weight of 506.56 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,3-dioxo-2-(1,3,3,6-tetramethyl-2H-inden-1-yl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 134222453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).