11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione

C36H27N5O6 — CID 11411035

About 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione

11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione (PubChem CID 11411035) has the molecular formula C36H27N5O6 and a molecular weight of 625.64 g/mol. Its IUPAC name is 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione.

Molecular Properties

• Compound Name: 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione
• PubChem CID: 11411035
• Molecular Formula: C36H27N5O6
• Molecular Weight: 625.64 g/mol
• Exact Mass: 625.20
• IUPAC Name: 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione
• SMILES: COc1cc2c3c(ccnc3c1OC)N(C)C(=O)C21C(=O)c2c3c(nc4ccccc24)N(C)c2ccnc4c(OC)c(OC)c1c-3c24
• InChI: InChI=1S/C36H27N5O6/c1-40-20-12-14-38-29-24(20)25-26-22(16-9-7-8-10-18(16)39-34(26)40)33(42)36(27(25)31(46-5)32(29)47-6)17-15-21(44-3)30(45-4)28-23(17)19(11-13-37-28)41(2)35(36)43/h7-15H,1-6H3
• InChIKey: QPGBPTCKTRZLCV-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 116.21 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.64
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione?

The IUPAC name of 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione (CID 11411035) is 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione.

What is the SMILES notation for 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione?

The canonical SMILES for 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione is COc1cc2c3c(ccnc3c1OC)N(C)C(=O)C21C(=O)c2c3c(nc4ccccc24)N(C)c2ccnc4c(OC)c(OC)c1c-3c24.

What is the InChIKey of 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione?

The InChIKey is QPGBPTCKTRZLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N5O6/c1-40-20-12-14-38-29-24(20)25-26-22(16-9-7-8-10-18(16)39-34(26)40)33(42)36(27(25)31(46-5)32(29)47-6)17-15-21(44-3)30(45-4)28-23(17)19(11-13-37-28)41(2)35(36)43/h7-15H,1-6H3.

What are the key properties of 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione?

11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione has a molecular weight of 625.64 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11',12',13,14-tetramethoxy-6',23-dimethylspiro[2,16,23-triazahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1,3,5,7,9(22),12(21),13,15,17,19-decaene-11,8'-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene]-7',10-dione is sourced from PubChem (CID 11411035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).