23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene

C80H66N4O4+4 — CID 160535512

About 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene

23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene (PubChem CID 160535512) has the molecular formula C80H66N4O4+4 and a molecular weight of 1147.43 g/mol. Its IUPAC name is 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene.

Molecular Properties

• Compound Name: 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene
• PubChem CID: 160535512
• Molecular Formula: C80H66N4O4+4
• Molecular Weight: 1147.43 g/mol
• Exact Mass: 1146.51
• IUPAC Name: 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene
• SMILES: CC1(C)c2cccc3c2-c2c1c1ccccc1c[n+]2CO3.CC1(C)c2cccc3c2-c2c1c1ccccc1c[n+]2CO3.CC1(C)c2cccc3c2-c2c1cc1cc4ccccc4cc1[n+]2CO3.CC1(C)c2cccc3c2-c2c1cc1ccccc1[n+]2CO3
• InChI: InChI=1S/C23H18NO.3C19H16NO/c1-23(2)17-8-5-9-20-21(17)22-18(23)11-16-10-14-6-3-4-7-15(14)12-19(16)24(22)13-25-20;1-19(2)13-7-5-9-16-17(13)18-14(19)10-12-6-3-4-8-15(12)20(18)11-21-16;2*1-19(2)14-8-5-9-15-16(14)18-17(19)13-7-4-3-6-12(13)10-20(18)11-21-15/h3-12H,13H2,1-2H3;3*3-10H,11H2,1-2H3/q4*+1
• InChIKey: GMWLNZOIYMKWBR-UHFFFAOYSA-N
• XLogP: 16.29
• TPSA: 52.44 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1147.43
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene?

The IUPAC name of 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene (CID 160535512) is 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene.

What is the SMILES notation for 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene?

The canonical SMILES for 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene is CC1(C)c2cccc3c2-c2c1c1ccccc1c[n+]2CO3.CC1(C)c2cccc3c2-c2c1c1ccccc1c[n+]2CO3.CC1(C)c2cccc3c2-c2c1cc1cc4ccccc4cc1[n+]2CO3.CC1(C)c2cccc3c2-c2c1cc1ccccc1[n+]2CO3.

What is the InChIKey of 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene?

The InChIKey is GMWLNZOIYMKWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18NO.3C19H16NO/c1-23(2)17-8-5-9-20-21(17)22-18(23)11-16-10-14-6-3-4-7-15(14)12-19(16)24(22)13-25-20;1-19(2)13-7-5-9-16-17(13)18-14(19)10-12-6-3-4-8-15(12)20(18)11-21-16;2*1-19(2)14-8-5-9-15-16(14)18-17(19)13-7-4-3-6-12(13)10-20(18)11-21-15/h3-12H,13H2,1-2H3;3*3-10H,11H2,1-2H3/q4*+1.

What are the key properties of 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene?

23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene has a molecular weight of 1147.43 g/mol, XLogP of 16.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 23,23-dimethyl-15-oxa-13-azoniahexacyclo[18.2.1.03,12.05,10.013,22.016,21]tricosa-1,3,5,7,9,11,13(22),16,18,20-decaene;bis(19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene);19,19-dimethyl-11-oxa-9-azoniapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1,3,5,7,9(18),12,14,16-octaene is sourced from PubChem (CID 160535512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).