2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate

C84H93N8O6-5 — CID 167366415

About 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate

2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate (PubChem CID 167366415) has the molecular formula C84H93N8O6-5 and a molecular weight of 1310.72 g/mol. Its IUPAC name is 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate.

Molecular Properties

• Compound Name: 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate
• PubChem CID: 167366415
• Molecular Formula: C84H93N8O6-5
• Molecular Weight: 1310.72 g/mol
• Exact Mass: 1309.72
• IUPAC Name: 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate
• SMILES: CC1CC(C)CC2(C1)Nc1cccc3ccc(C4C([O-])C(c5ccc6ccc(C7C(=O)C(c8ccc9ccc(C%10C([O-])C(c%11ccc%12cccc%13c%12c%11NC%11(CC(C)CC(C)C%11)N%13)C%10[O-])c%10c9c8NC8(CC(C)CC(C)C8)N%10)C7[O-])c7c6c5NC5(CC(C)CC(C)C5)N7)C4[O-])c(c13)N2
• InChI: InChI=1S/C84H93N8O6/c1-39-27-40(2)32-81(31-39)85-57-13-9-11-47-15-21-51(69(87-81)59(47)57)63-75(93)65(76(63)94)53-23-17-49-19-25-55(73-61(49)71(53)89-83(91-73)35-43(5)29-44(6)36-83)67-79(97)68(80(67)98)56-26-20-50-18-24-54(72-62(50)74(56)92-84(90-72)37-45(7)30-46(8)38-84)66-77(95)64(78(66)96)52-22-16-48-12-10-14-58-60(48)70(52)88-82(86-58)33-41(3)28-42(4)34-82/h9-26,39-46,63-68,75-79,85-92H,27-38H2,1-8H3/q-5
• InChIKey: QGWBMWBSVMLQAJ-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 228.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1310.72
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate?

The IUPAC name of 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate (CID 167366415) is 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate.

What is the SMILES notation for 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate?

The canonical SMILES for 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate is CC1CC(C)CC2(C1)Nc1cccc3ccc(C4C([O-])C(c5ccc6ccc(C7C(=O)C(c8ccc9ccc(C%10C([O-])C(c%11ccc%12cccc%13c%12c%11NC%11(CC(C)CC(C)C%11)N%13)C%10[O-])c%10c9c8NC8(CC(C)CC(C)C8)N%10)C7[O-])c7c6c5NC5(CC(C)CC(C)C5)N7)C4[O-])c(c13)N2.

What is the InChIKey of 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate?

The InChIKey is QGWBMWBSVMLQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H93N8O6/c1-39-27-40(2)32-81(31-39)85-57-13-9-11-47-15-21-51(69(87-81)59(47)57)63-75(93)65(76(63)94)53-23-17-49-19-25-55(73-61(49)71(53)89-83(91-73)35-43(5)29-44(6)36-83)67-79(97)68(80(67)98)56-26-20-50-18-24-54(72-62(50)74(56)92-84(90-72)37-45(7)30-46(8)38-84)66-77(95)64(78(66)96)52-22-16-48-12-10-14-58-60(48)70(52)88-82(86-58)33-41(3)28-42(4)34-82/h9-26,39-46,63-68,75-79,85-92H,27-38H2,1-8H3/q-5.

What are the key properties of 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate?

2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate has a molecular weight of 1310.72 g/mol, XLogP of 13.12, 6 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-4-[9-[3-[9-[3-(3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl)-2,4-dioxidocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]-2-oxido-4-oxocyclobutyl]-3',5'-dimethylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]-4-yl]cyclobutane-1,3-diolate is sourced from PubChem (CID 167366415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).