3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

C140H160N15+5 — CID 160681895

About 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 160681895) has the molecular formula C140H160N15+5 and a molecular weight of 2052.92 g/mol. Its IUPAC name is 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

• Compound Name: 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• PubChem CID: 160681895
• Molecular Formula: C140H160N15+5
• Molecular Weight: 2052.92 g/mol
• Exact Mass: 2051.30
• IUPAC Name: 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• SMILES: Cc1ccnc2c3cc(CC(C)C)cc(CC(C)C)c3n3c4ccccc4[n+](C)c3c12.Cc1ccnc2c3ccc(CC(C)C)c(CC(C)C)c3n3c4ccccc4[n+](C)c3c12.Cc1ccnc2c3cccc(CC(C)C)c3n3c4cc(CC(C)C)ccc4[n+](C)c3c12.Cc1ccnc2c3ccccc3n3c4c(CC(C)C)c(CC(C)C)ccc4[n+](C)c3c12.Cc1ccnc2c3ccccc3n3c4cc(CC(C)C)c(CC(C)C)cc4[n+](C)c3c12
• InChI: InChI=1S/5C28H32N3/c1-17(2)14-20-10-11-23-24(16-20)31-27-21(15-18(3)4)8-7-9-22(27)26-25(28(31)30(23)6)19(5)12-13-29-26;1-17(2)13-20-15-24-25(16-21(20)14-18(3)4)31-23-10-8-7-9-22(23)27-26(28(31)30(24)6)19(5)11-12-29-27;1-17(2)13-20-15-21(14-18(3)4)27-22(16-20)26-25(19(5)11-12-29-26)28-30(6)23-9-7-8-10-24(23)31(27)28;1-17(2)15-20-11-12-21-26-25(19(5)13-14-29-26)28-30(6)23-9-7-8-10-24(23)31(28)27(21)22(20)16-18(3)4;1-17(2)15-20-11-12-24-27(22(20)16-18(3)4)31-23-10-8-7-9-21(23)26-25(28(31)30(24)6)19(5)13-14-29-26/h7-13,16-18H,14-15H2,1-6H3;2*7-12,15-18H,13-14H2,1-6H3;2*7-14,17-18H,15-16H2,1-6H3/q5*+1
• InChIKey: OJUSGXSMNDDVSK-UHFFFAOYSA-N
• XLogP: 31.62
• TPSA: 105.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2052.92
LogP ≤ 5	31.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The IUPAC name of 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (CID 160681895) is 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

What is the SMILES notation for 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The canonical SMILES for 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is Cc1ccnc2c3cc(CC(C)C)cc(CC(C)C)c3n3c4ccccc4[n+](C)c3c12.Cc1ccnc2c3ccc(CC(C)C)c(CC(C)C)c3n3c4ccccc4[n+](C)c3c12.Cc1ccnc2c3cccc(CC(C)C)c3n3c4cc(CC(C)C)ccc4[n+](C)c3c12.Cc1ccnc2c3ccccc3n3c4c(CC(C)C)c(CC(C)C)ccc4[n+](C)c3c12.Cc1ccnc2c3ccccc3n3c4cc(CC(C)C)c(CC(C)C)cc4[n+](C)c3c12.

What is the InChIKey of 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The InChIKey is OJUSGXSMNDDVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/5C28H32N3/c1-17(2)14-20-10-11-23-24(16-20)31-27-21(15-18(3)4)8-7-9-22(27)26-25(28(31)30(23)6)19(5)12-13-29-26;1-17(2)13-20-15-24-25(16-21(20)14-18(3)4)31-23-10-8-7-9-22(23)27-26(28(31)30(24)6)19(5)11-12-29-27;1-17(2)13-20-15-21(14-18(3)4)27-22(16-20)26-25(19(5)11-12-29-26)28-30(6)23-9-7-8-10-24(23)31(27)28;1-17(2)15-20-11-12-21-26-25(19(5)13-14-29-26)28-30(6)23-9-7-8-10-24(23)31(28)27(21)22(20)16-18(3)4;1-17(2)15-20-11-12-24-27(22(20)16-18(3)4)31-23-10-8-7-9-21(23)26-25(28(31)30(24)6)19(5)13-14-29-26/h7-13,16-18H,14-15H2,1-6H3;2*7-12,15-18H,13-14H2,1-6H3;2*7-14,17-18H,15-16H2,1-6H3/q5*+1.

What are the key properties of 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 2052.92 g/mol, XLogP of 31.62, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,21-dimethyl-10,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-11,12-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-16,17-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;3,21-dimethyl-17,18-bis(2-methylpropyl)-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 160681895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).