2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C45H40FN5O6 — CID 164923912

About 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 164923912) has the molecular formula C45H40FN5O6 and a molecular weight of 765.84 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 164923912
• Molecular Formula: C45H40FN5O6
• Molecular Weight: 765.84 g/mol
• Exact Mass: 765.30
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)CN2CC3(C2)CN(c2ccc(C5=C(c6ccc(F)cc6)CCCc6cc(O)ccc65)cc2)C3)C4)C(=O)N1
• InChI: InChI=1S/C45H40FN5O6/c46-31-8-4-26(5-9-31)34-3-1-2-28-16-33(52)12-13-35(28)41(34)27-6-10-32(11-7-27)50-24-45(25-50)22-48(23-45)21-40(54)49-19-29-17-36-37(18-30(29)20-49)44(57)51(43(36)56)38-14-15-39(53)47-42(38)55/h4-13,16-18,38,52H,1-3,14-15,19-25H2,(H,47,53,55)
• InChIKey: BOPAQESPORJFNT-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 130.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	765.84
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 164923912) is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)CN2CC3(C2)CN(c2ccc(C5=C(c6ccc(F)cc6)CCCc6cc(O)ccc65)cc2)C3)C4)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is BOPAQESPORJFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40FN5O6/c46-31-8-4-26(5-9-31)34-3-1-2-28-16-33(52)12-13-35(28)41(34)27-6-10-32(11-7-27)50-24-45(25-50)22-48(23-45)21-40(54)49-19-29-17-36-37(18-30(29)20-49)44(57)51(43(36)56)38-14-15-39(53)47-42(38)55/h4-13,16-18,38,52H,1-3,14-15,19-25H2,(H,47,53,55).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 765.84 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[6-(4-fluorophenyl)-2-hydroxy-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 164923912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).