11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C109H86N8O4+4 — CID 163897842

About 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 163897842) has the molecular formula C109H86N8O4+4 and a molecular weight of 1571.94 g/mol. Its IUPAC name is 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

• Compound Name: 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
• PubChem CID: 163897842
• Molecular Formula: C109H86N8O4+4
• Molecular Weight: 1571.94 g/mol
• Exact Mass: 1570.68
• IUPAC Name: 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
• SMILES: Cc1c(-c2cc3c4c5ccccc5ccc4n(C)c3c[n+]2C)oc2ccccc12.Cc1c(-c2cc3c4cc5ccccc5cc4n(-c4ccccc4)c3c[n+]2C)oc2ccccc12.Cc1c(-c2cc3c4cc5ccccc5cc4n(C)c3c[n+]2C)oc2ccccc12.Cc1oc2ccccc2c1-c1cc2c3ccc4ccccc4c3n(C)c2c[n+]1C
• InChI: InChI=1S/C31H23N2O.3C26H21N2O/c1-20-24-14-8-9-15-30(24)34-31(20)28-18-26-25-16-21-10-6-7-11-22(21)17-27(25)33(29(26)19-32(28)2)23-12-4-3-5-13-23;1-16-18-9-6-7-11-24(18)29-26(16)22-14-20-23(15-27(22)2)28(3)21-13-12-17-8-4-5-10-19(17)25(20)21;1-16-19-10-6-7-11-25(19)29-26(16)23-14-21-20-12-17-8-4-5-9-18(17)13-22(20)28(3)24(21)15-27(23)2;1-16-25(20-10-6-7-11-24(20)29-16)22-14-21-19-13-12-17-8-4-5-9-18(17)26(19)28(3)23(21)15-27(22)2/h3-19H,1-2H3;3*4-15H,1-3H3/q4*+1
• InChIKey: WYOPZRREURBXTF-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 87.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1571.94
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The IUPAC name of 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 163897842) is 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

What is the SMILES notation for 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The canonical SMILES for 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is Cc1c(-c2cc3c4c5ccccc5ccc4n(C)c3c[n+]2C)oc2ccccc12.Cc1c(-c2cc3c4cc5ccccc5cc4n(-c4ccccc4)c3c[n+]2C)oc2ccccc12.Cc1c(-c2cc3c4cc5ccccc5cc4n(C)c3c[n+]2C)oc2ccccc12.Cc1oc2ccccc2c1-c1cc2c3ccc4ccccc4c3n(C)c2c[n+]1C.

What is the InChIKey of 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The InChIKey is WYOPZRREURBXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N2O.3C26H21N2O/c1-20-24-14-8-9-15-30(24)34-31(20)28-18-26-25-16-21-10-6-7-11-22(21)17-27(25)33(29(26)19-32(28)2)23-12-4-3-5-13-23;1-16-18-9-6-7-11-24(18)29-26(16)22-14-20-23(15-27(22)2)28(3)21-13-12-17-8-4-5-10-19(17)25(20)21;1-16-19-10-6-7-11-25(19)29-26(16)23-14-21-20-12-17-8-4-5-9-18(17)13-22(20)28(3)24(21)15-27(23)2;1-16-25(20-10-6-7-11-24(20)29-16)22-14-21-19-13-12-17-8-4-5-9-18(17)26(19)28(3)23(21)15-27(22)2/h3-19H,1-2H3;3*4-15H,1-3H3/q4*+1.

What are the key properties of 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 1571.94 g/mol, XLogP of 25.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11,14-dimethyl-15-(3-methyl-1-benzofuran-2-yl)-11-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;14,17-dimethyl-13-(2-methyl-1-benzofuran-3-yl)-17-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;14,17-dimethyl-13-(3-methyl-1-benzofuran-2-yl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;14-methyl-13-(3-methyl-1-benzofuran-2-yl)-17-phenyl-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 163897842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).