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

C137H122N15+5 — CID 162046646

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

10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 162046646) has the molecular formula C137H122N15+5 and a molecular weight of 1978.59 g/mol. Its IUPAC name is 10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

• Compound Name: 10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
• PubChem CID: 162046646
• Molecular Formula: C137H122N15+5
• Molecular Weight: 1978.59 g/mol
• Exact Mass: 1977.00
• IUPAC Name: 10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
• SMILES: Cc1cccc(C)c1-c1ccc2c(c1)c1nccc(C)c1c1n2c2ccccc2[n+]1C.Cc1cccc(C)c1-c1ccc2c(c1)n(C)c1c3c(C)ccnc3c3ccccc3[n+]21.Cc1cccc(C)c1-c1ccc2c(c1)n1c3ccccc3c3nccc(C)c3c1[n+]2C.Cc1cccc(C)c1-c1ccc2c3nccc(C)c3c3n(c2c1)c1ccccc1[n+]3C.Cc1ccnc2c3ccccc3[n+]3c4ccc(CC(C)(C)C)cc4n(C)c3c12
• InChI: InChI=1S/4C28H24N3.C25H26N3/c1-17-8-7-9-18(2)25(17)20-12-13-22-21(16-20)27-26(19(3)14-15-29-27)28-30(4)23-10-5-6-11-24(23)31(22)28;1-17-8-7-9-18(2)25(17)20-12-13-21-24(16-20)31-23-11-6-5-10-22(23)30(4)28(31)26-19(3)14-15-29-27(21)26;1-17-8-7-9-18(2)25(17)20-12-13-23-24(16-20)30(4)28-26-19(3)14-15-29-27(26)21-10-5-6-11-22(21)31(23)28;1-17-8-7-9-18(2)25(17)20-12-13-23-24(16-20)31-22-11-6-5-10-21(22)27-26(28(31)30(23)4)19(3)14-15-29-27;1-16-12-13-26-23-18-8-6-7-9-19(18)28-20-11-10-17(15-25(2,3)4)14-21(20)27(5)24(28)22(16)23/h4*5-16H,1-4H3;6-14H,15H2,1-5H3/q5*+1
• InChIKey: QOEBJCARZXQEFI-UHFFFAOYSA-N
• XLogP: 30.36
• TPSA: 107.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1978.59
LogP ≤ 5	30.36
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 10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?

The IUPAC name of 10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (CID 162046646) is 10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

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

The canonical SMILES for 10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is Cc1cccc(C)c1-c1ccc2c(c1)c1nccc(C)c1c1n2c2ccccc2[n+]1C.Cc1cccc(C)c1-c1ccc2c(c1)n(C)c1c3c(C)ccnc3c3ccccc3[n+]21.Cc1cccc(C)c1-c1ccc2c(c1)n1c3ccccc3c3nccc(C)c3c1[n+]2C.Cc1cccc(C)c1-c1ccc2c3nccc(C)c3c3n(c2c1)c1ccccc1[n+]3C.Cc1ccnc2c3ccccc3[n+]3c4ccc(CC(C)(C)C)cc4n(C)c3c12.

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

The InChIKey is QOEBJCARZXQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C28H24N3.C25H26N3/c1-17-8-7-9-18(2)25(17)20-12-13-22-21(16-20)27-26(19(3)14-15-29-27)28-30(4)23-10-5-6-11-24(23)31(22)28;1-17-8-7-9-18(2)25(17)20-12-13-21-24(16-20)31-23-11-6-5-10-22(23)30(4)28(31)26-19(3)14-15-29-27(21)26;1-17-8-7-9-18(2)25(17)20-12-13-23-24(16-20)30(4)28-26-19(3)14-15-29-27(26)21-10-5-6-11-22(21)31(23)28;1-17-8-7-9-18(2)25(17)20-12-13-23-24(16-20)31-22-11-6-5-10-21(22)27-26(28(31)30(23)4)19(3)14-15-29-27;1-16-12-13-26-23-18-8-6-7-9-19(18)28-20-11-10-17(15-25(2,3)4)14-21(20)27(5)24(28)22(16)23/h4*5-16H,1-4H3;6-14H,15H2,1-5H3/q5*+1.

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

10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 1978.59 g/mol, XLogP of 30.36, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2,6-dimethylphenyl)-3,21-dimethyl-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;11-(2,6-dimethylphenyl)-3,21-dimethyl-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;17-(2,6-dimethylphenyl)-3,21-dimethyl-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;18-(2,6-dimethylphenyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(2,2-dimethylpropyl)-3,21-dimethyl-6,21-diaza-14-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 162046646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).