4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C65H50F4N4O9 — CID 20677744

About 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 20677744) has the molecular formula C65H50F4N4O9 and a molecular weight of 1107.13 g/mol. Its IUPAC name is 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

• Compound Name: 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
• PubChem CID: 20677744
• Molecular Formula: C65H50F4N4O9
• Molecular Weight: 1107.13 g/mol
• Exact Mass: 1106.35
• IUPAC Name: 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
• SMILES: CC1C(C)C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)c7ccc(C(=O)c8ccc9c(c8)C(=O)N(c8ccc(Cc%10ccc(N%11C(=O)C%12C(C%11=O)C%11C(C)C(C)C%12C%11(F)F)cc%10)cc8)C9=O)cc7C6=O)cc5)cc4)C(=O)C3C1C2(F)F
• InChI: InChI=1S/C65H50F4N4O9/c1-29-30(2)52-48-47(51(29)64(52,66)67)60(79)72(61(48)80)41-19-9-35(10-20-41)25-33-5-15-39(16-6-33)70-56(75)43-23-13-37(27-45(43)58(70)77)55(74)38-14-24-44-46(28-38)59(78)71(57(44)76)40-17-7-34(8-18-40)26-36-11-21-42(22-12-36)73-62(81)49-50(63(73)82)54-32(4)31(3)53(49)65(54,68)69/h5-24,27-32,47-54H,25-26H2,1-4H3
• InChIKey: YMNSCBWGQMVIHC-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 166.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.13
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?

The IUPAC name of 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 20677744) is 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

What is the SMILES notation for 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?

The canonical SMILES for 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is CC1C(C)C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)c7ccc(C(=O)c8ccc9c(c8)C(=O)N(c8ccc(Cc%10ccc(N%11C(=O)C%12C(C%11=O)C%11C(C)C(C)C%12C%11(F)F)cc%10)cc8)C9=O)cc7C6=O)cc5)cc4)C(=O)C3C1C2(F)F.

What is the InChIKey of 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?

The InChIKey is YMNSCBWGQMVIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50F4N4O9/c1-29-30(2)52-48-47(51(29)64(52,66)67)60(79)72(61(48)80)41-19-9-35(10-20-41)25-33-5-15-39(16-6-33)70-56(75)43-23-13-37(27-45(43)58(70)77)55(74)38-14-24-44-46(28-38)59(78)71(57(44)76)40-17-7-34(8-18-40)26-36-11-21-42(22-12-36)73-62(81)49-50(63(73)82)54-32(4)31(3)53(49)65(54,68)69/h5-24,27-32,47-54H,25-26H2,1-4H3.

What are the key properties of 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?

4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 1107.13 g/mol, XLogP of 10.25, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[4-[5-[2-[4-[[4-(10,10-difluoro-8,9-dimethyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-10,10-difluoro-8,9-dimethyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 20677744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).