2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone

C137H115NO26S2 — CID 163583145

About 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone

2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone (PubChem CID 163583145) has the molecular formula C137H115NO26S2 and a molecular weight of 2255.54 g/mol. Its IUPAC name is 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone.

Molecular Properties

• Compound Name: 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone
• PubChem CID: 163583145
• Molecular Formula: C137H115NO26S2
• Molecular Weight: 2255.54 g/mol
• Exact Mass: 2253.71
• IUPAC Name: 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone
• SMILES: C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CN1c2cc3c(cc2C2(c4ccccc4-c4ccccc42)c2cc4c(cc21)C(=O)OC4=O)C(=O)OC3=O.O=C1OC(=O)c2cc3c(cc21)-c1cc2c(cc1C31c3ccccc3-c3ccccc31)C(=O)OC2=O.O=C1OC(=O)c2cc3c(cc21)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1S3(=O)=O)C(=O)OC2=O.O=C1OC(=O)c2cc3c(cc21)Sc1cc2c(cc1C31c3ccccc3-c3ccccc31)C(=O)OC2=O
• InChI: InChI=1S/C30H15NO6.C29H12O8S.C29H12O6S.C29H12O6.8C2H6.4CH4/c1-31-24-12-18-16(26(32)36-28(18)34)10-22(24)30(23-11-17-19(13-25(23)31)29(35)37-27(17)33)20-8-4-2-6-14(20)15-7-3-5-9-21(15)30;30-25-15-9-21-23(11-17(15)27(32)36-25)38(34,35)24-12-18-16(26(31)37-28(18)33)10-22(24)29(21)19-7-3-1-5-13(19)14-6-2-4-8-20(14)29;30-25-15-9-21-23(11-17(15)27(32)34-25)36-24-12-18-16(26(31)35-28(18)33)10-22(24)29(21)19-7-3-1-5-13(19)14-6-2-4-8-20(14)29;30-25-17-9-15-16-10-18-20(28(33)35-26(18)31)12-24(16)29(23(15)11-19(17)27(32)34-25)21-7-3-1-5-13(21)14-6-2-4-8-22(14)29;8*1-2;;;;/h2-13H,1H3;1-12H;1-12H;1-12H;8*1-2H3;4*1H4
• InChIKey: GJGIRKKVNTZHNB-UHFFFAOYSA-N
• XLogP: 29.11
• TPSA: 384.34 Ų
• H-Bond Acceptors: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2255.54
LogP ≤ 5	29.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone?

The IUPAC name of 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone (CID 163583145) is 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone.

What is the SMILES notation for 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone?

The canonical SMILES for 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CN1c2cc3c(cc2C2(c4ccccc4-c4ccccc42)c2cc4c(cc21)C(=O)OC4=O)C(=O)OC3=O.O=C1OC(=O)c2cc3c(cc21)-c1cc2c(cc1C31c3ccccc3-c3ccccc31)C(=O)OC2=O.O=C1OC(=O)c2cc3c(cc21)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1S3(=O)=O)C(=O)OC2=O.O=C1OC(=O)c2cc3c(cc21)Sc1cc2c(cc1C31c3ccccc3-c3ccccc31)C(=O)OC2=O.

What is the InChIKey of 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone?

The InChIKey is GJGIRKKVNTZHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15NO6.C29H12O8S.C29H12O6S.C29H12O6.8C2H6.4CH4/c1-31-24-12-18-16(26(32)36-28(18)34)10-22(24)30(23-11-17-19(13-25(23)31)29(35)37-27(17)33)20-8-4-2-6-14(20)15-7-3-5-9-21(15)30;30-25-15-9-21-23(11-17(15)27(32)36-25)38(34,35)24-12-18-16(26(31)37-28(18)33)10-22(24)29(21)19-7-3-1-5-13(19)14-6-2-4-8-20(14)29;30-25-15-9-21-23(11-17(15)27(32)34-25)36-24-12-18-16(26(31)35-28(18)33)10-22(24)29(21)19-7-3-1-5-13(19)14-6-2-4-8-20(14)29;30-25-17-9-15-16-10-18-20(28(33)35-26(18)31)12-24(16)29(23(15)11-19(17)27(32)34-25)21-7-3-1-5-13(21)14-6-2-4-8-22(14)29;8*1-2;;;;/h2-13H,1H3;1-12H;1-12H;1-12H;8*1-2H3;4*1H4.

What are the key properties of 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone?

2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone has a molecular weight of 2255.54 g/mol, XLogP of 29.11, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone is sourced from PubChem (CID 163583145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).