3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene

C26H22NO2+ — CID 164723017

About 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene

3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene (PubChem CID 164723017) has the molecular formula C26H22NO2+ and a molecular weight of 380.47 g/mol. Its IUPAC name is 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene.

Molecular Properties

• Compound Name: 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene
• PubChem CID: 164723017
• Molecular Formula: C26H22NO2+
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.16
• IUPAC Name: 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene
• SMILES: Cc1c2c(cc3oc4ccccc4c13)Oc1cc(C(C)C)cc3cc[n+](C)c-2c13
• InChI: InChI=1S/C26H22NO2/c1-14(2)17-11-16-9-10-27(4)26-24-15(3)23-18-7-5-6-8-19(18)28-21(23)13-22(24)29-20(12-17)25(16)26/h5-14H,1-4H3/q+1
• InChIKey: NYABQXDFSSWSDI-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 26.25 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene?

The IUPAC name of 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene (CID 164723017) is 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene.

What is the SMILES notation for 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene?

The canonical SMILES for 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene is Cc1c2c(cc3oc4ccccc4c13)Oc1cc(C(C)C)cc3cc[n+](C)c-2c13.

What is the InChIKey of 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene?

The InChIKey is NYABQXDFSSWSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NO2/c1-14(2)17-11-16-9-10-27(4)26-24-15(3)23-18-7-5-6-8-19(18)28-21(23)13-22(24)29-20(12-17)25(16)26/h5-14H,1-4H3/q+1.

What are the key properties of 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene?

3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene has a molecular weight of 380.47 g/mol, XLogP of 6.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,23-dimethyl-18-propan-2-yl-11,15-dioxa-23-azoniahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene is sourced from PubChem (CID 164723017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).