7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene

C23H22N5+ — CID 140948178

About 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene

7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene (PubChem CID 140948178) has the molecular formula C23H22N5+ and a molecular weight of 368.46 g/mol. Its IUPAC name is 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene.

Molecular Properties

• Compound Name: 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene
• PubChem CID: 140948178
• Molecular Formula: C23H22N5+
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.19
• IUPAC Name: 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene
• SMILES: Cc1ccc2c3c1-[n+]1c4c(c(C)n1C)CCCC4n3c1nc3ccccc3n21
• InChI: InChI=1S/C23H22N5/c1-13-11-12-19-22-20(13)28-21-15(14(2)25(28)3)7-6-10-18(21)27(22)23-24-16-8-4-5-9-17(16)26(19)23/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3/q+1
• InChIKey: ZOYVVWLJCRXPDB-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 31.04 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene?

The IUPAC name of 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene (CID 140948178) is 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene.

What is the SMILES notation for 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene?

The canonical SMILES for 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene is Cc1ccc2c3c1-[n+]1c4c(c(C)n1C)CCCC4n3c1nc3ccccc3n21.

What is the InChIKey of 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene?

The InChIKey is ZOYVVWLJCRXPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N5/c1-13-11-12-19-22-20(13)28-21-15(14(2)25(28)3)7-6-10-18(21)27(22)23-24-16-8-4-5-9-17(16)26(19)23/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3/q+1.

What are the key properties of 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene?

7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene has a molecular weight of 368.46 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8,11-trimethyl-1,8,15,22-tetraza-9-azoniaheptacyclo[12.9.1.12,6.010,24.015,23.016,21.09,25]pentacosa-6,9(25),10,12,14(24),16,18,20,22-nonaene is sourced from PubChem (CID 140948178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).