tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)

C72H92N8O14 — CID 163449958

IUPACtetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/2C13H10N2O4.2C13H12N2O3.4C5H12/c2*16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19;2*16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18;4*1-5(2,3)4/h2*1-4,9H,5-6H2,(H,14,16,17);2*1-4,10H,5-7H2,(H,14,16,17);4*1-4H3
InChIKeyBFTNTPSAFKIELE-UHFFFAOYSA-N
MW1293.57 g/mol
LogP9.28
Rot. Bonds4

About tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)

tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione) (PubChem CID 163449958) has the molecular formula C72H92N8O14 and a molecular weight of 1293.57 g/mol. Its IUPAC name is tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione).

Molecular Properties

Compound Nametetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
PubChem CID163449958
Molecular FormulaC72H92N8O14
Molecular Weight1293.57 g/mol
Exact Mass1292.67
IUPAC Nametetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/2C13H10N2O4.2C13H12N2O3.4C5H12/c2*16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19;2*16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18;4*1-5(2,3)4/h2*1-4,9H,5-6H2,(H,14,16,17);2*1-4,10H,5-7H2,(H,14,16,17);4*1-4H3
InChIKeyBFTNTPSAFKIELE-UHFFFAOYSA-N
XLogP9.28
TPSA300.06 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.57
LogP ≤ 59.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione) with MolForge

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Related Compounds

methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 130431899
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 175762489

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)?
The IUPAC name of tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione) (CID 163449958) is tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione).
What is the SMILES notation for tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)?
The canonical SMILES for tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1.
What is the InChIKey of tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)?
The InChIKey is BFTNTPSAFKIELE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10N2O4.2C13H12N2O3.4C5H12/c2*16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19;2*16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18;4*1-5(2,3)4/h2*1-4,9H,5-6H2,(H,14,16,17);2*1-4,10H,5-7H2,(H,14,16,17);4*1-4H3.
What are the key properties of tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)?
tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione) has a molecular weight of 1293.57 g/mol, XLogP of 9.28, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione) is sourced from PubChem (CID 163449958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).