bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene

C65H52N3O3+3 — CID 157126137

About bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene

bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene (PubChem CID 157126137) has the molecular formula C65H52N3O3+3 and a molecular weight of 923.15 g/mol. Its IUPAC name is bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene
• PubChem CID: 157126137
• Molecular Formula: C65H52N3O3+3
• Molecular Weight: 923.15 g/mol
• Exact Mass: 922.40
• IUPAC Name: bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene
• SMILES: CC1(C)c2cc3ccccc3[n+]3c2-c2c(cc4ccccc4c21)OC3.CC1(C)c2cc3ccccc3[n+]3c2-c2c(cc4ccccc4c21)OC3.CC1(C)c2ccc[n+]3c2-c2c(cc4ccccc4c21)OC3
• InChI: InChI=1S/2C23H18NO.C19H16NO/c2*1-23(2)17-11-15-8-4-6-10-18(15)24-13-25-19-12-14-7-3-5-9-16(14)21(23)20(19)22(17)24;1-19(2)14-8-5-9-20-11-21-15-10-12-6-3-4-7-13(12)17(19)16(15)18(14)20/h2*3-12H,13H2,1-2H3;3-10H,11H2,1-2H3/q3*+1
• InChIKey: IAVZCKLSTZNLBT-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 39.33 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.15
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene?

The IUPAC name of bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene (CID 157126137) is bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene?

The canonical SMILES for bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene is CC1(C)c2cc3ccccc3[n+]3c2-c2c(cc4ccccc4c21)OC3.CC1(C)c2cc3ccccc3[n+]3c2-c2c(cc4ccccc4c21)OC3.CC1(C)c2ccc[n+]3c2-c2c(cc4ccccc4c21)OC3.

What is the InChIKey of bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene?

The InChIKey is IAVZCKLSTZNLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18NO.C19H16NO/c2*1-23(2)17-11-15-8-4-6-10-18(15)24-13-25-19-12-14-7-3-5-9-16(14)21(23)20(19)22(17)24;1-19(2)14-8-5-9-20-11-21-15-10-12-6-3-4-7-13(12)17(19)16(15)18(14)20/h2*3-12H,13H2,1-2H3;3-10H,11H2,1-2H3/q3*+1.

What are the key properties of bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene?

bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene has a molecular weight of 923.15 g/mol, XLogP of 13.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for bis(23,23-dimethyl-10-oxa-12-azoniahexacyclo[18.2.1.02,7.09,22.012,21.013,18]tricosa-1(22),2,4,6,8,12(21),13,15,17,19-decaene);19,19-dimethyl-10-oxa-12-azoniapentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 157126137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).