4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene

C108H116N16+4 — CID 158653250

About 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene

4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene (PubChem CID 158653250) has the molecular formula C108H116N16+4 and a molecular weight of 1644.26 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene
• PubChem CID: 158653250
• Molecular Formula: C108H116N16+4
• Molecular Weight: 1644.26 g/mol
• Exact Mass: 1642.99
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene
• SMILES: [2H]C(C)(C)c1cc2c([n+](C)c1)-c1c(C)ccc3c1n(c1nc4ccccc4n31)C2(C)C.[2H]C(C)(C)c1cc[n+](C)c2c1C(C)(C)n1c3c-2c(C)ccc3n2c3ccccc3nc12.[2H]C([2H])(c1cc2c([n+](C)c1)-c1c(C)ccc3c1n(c1nc4ccccc4n31)C2(C)C)C(C)(C)C.[2H]C([2H])(c1cc[n+](C)c2c1C(C)(C)n1c3c-2c(C)ccc3n2c3ccccc3nc12)C(C)(C)C
• InChI: InChI=1S/2C28H31N4.2C26H27N4/c1-17-12-13-22-25-23(17)24-19(14-18(16-30(24)7)15-27(2,3)4)28(5,6)32(25)26-29-20-10-8-9-11-21(20)31(22)26;1-17-12-13-21-24-22(17)25-23(18(14-15-30(25)7)16-27(2,3)4)28(5,6)32(24)26-29-19-10-8-9-11-20(19)31(21)26;1-15(2)17-13-18-23(28(6)14-17)22-16(3)11-12-21-24(22)30(26(18,4)5)25-27-19-9-7-8-10-20(19)29(21)25;1-15(2)17-13-14-28(6)24-21-16(3)11-12-20-23(21)30(26(4,5)22(17)24)25-27-18-9-7-8-10-19(18)29(20)25/h8-14,16H,15H2,1-7H3;8-15H,16H2,1-7H3;2*7-15H,1-6H3/q4*+1/i15D2;16D2;2*15D
• InChIKey: UPUSPGFPABEAMN-FJUXUWDWSA-N
• XLogP: 22.78
• TPSA: 104.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.26
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene (CID 158653250) is 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene.

What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene?

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene is [2H]C(C)(C)c1cc2c([n+](C)c1)-c1c(C)ccc3c1n(c1nc4ccccc4n31)C2(C)C.[2H]C(C)(C)c1cc[n+](C)c2c1C(C)(C)n1c3c-2c(C)ccc3n2c3ccccc3nc12.[2H]C([2H])(c1cc2c([n+](C)c1)-c1c(C)ccc3c1n(c1nc4ccccc4n31)C2(C)C)C(C)(C)C.[2H]C([2H])(c1cc[n+](C)c2c1C(C)(C)n1c3c-2c(C)ccc3n2c3ccccc3nc12)C(C)(C)C.

What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene?

The InChIKey is UPUSPGFPABEAMN-FJUXUWDWSA-N. The full InChI is InChI=1S/2C28H31N4.2C26H27N4/c1-17-12-13-22-25-23(17)24-19(14-18(16-30(24)7)15-27(2,3)4)28(5,6)32(25)26-29-20-10-8-9-11-21(20)31(22)26;1-17-12-13-21-24-22(17)25-23(18(14-15-30(25)7)16-27(2,3)4)28(5,6)32(24)26-29-19-10-8-9-11-20(19)31(21)26;1-15(2)17-13-18-23(28(6)14-17)22-16(3)11-12-21-24(22)30(26(18,4)5)25-27-19-9-7-8-10-20(19)29(21)25;1-15(2)17-13-14-28(6)24-21-16(3)11-12-20-23(21)30(26(4,5)22(17)24)25-27-18-9-7-8-10-19(18)29(20)25/h8-14,16H,15H2,1-7H3;8-15H,16H2,1-7H3;2*7-15H,1-6H3/q4*+1/i15D2;16D2;2*15D.

What are the key properties of 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene?

4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene has a molecular weight of 1644.26 g/mol, XLogP of 22.78, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(2-deuteriopropan-2-yl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene;4-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3,5,7,9,11,13(23),15,17,19,21-decaene;5-(1,1-dideuterio-2,2-dimethylpropyl)-2,2,7,10-tetramethyl-1,14,21-triaza-7-azoniahexacyclo[11.9.1.03,8.09,23.014,22.015,20]tricosa-3(8),4,6,9,11,13(23),15,17,19,21-decaene is sourced from PubChem (CID 158653250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).