3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene

C187H189N26O+7 — CID 158178655

About 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene

3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene (PubChem CID 158178655) has the molecular formula C187H189N26O+7 and a molecular weight of 2816.75 g/mol. Its IUPAC name is 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene.

Molecular Properties

• Compound Name: 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene
• PubChem CID: 158178655
• Molecular Formula: C187H189N26O+7
• Molecular Weight: 2816.75 g/mol
• Exact Mass: 2814.55
• IUPAC Name: 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene
• SMILES: Cc1c(Oc2ccc3c4cccnc4n(-c4c(C(C)C)ccc[n+]4C)c3c2C)ccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1ccc(C(C)C)c2c3ncccc3c3c4ccccc4n(C)[n+]3c12.Cc1cccc2c1N1C(=C(C(C)C)N(C)[C@@H]1C)c1ncccc1-2.Cc1cccc2c3cccc(C(C)C)c3c3c4ncccc4n(C)[n+]3c12.Cc1ccnc2c1N1C(=CN(C)[C@@H]1C)c1cccc(C(C)C)c1-2.Cc1ccnc2c3c(C(C)C)cccc3c3c4ccccc4n(C)[n+]3c12.Cc1ccnc2c3c(C(C)C)cccc3c3cc[n+](C)n3c12.Cc1ccnc2c3c(C(C)C)cccc3n3cc[n+](C)c3c12
• InChI: InChI=1S/C40H37N5O.3C23H22N3.2C20H23N3.2C19H20N3/c1-25(2)28-15-12-24-43(6)40(28)45-38-27(4)35(21-19-31(38)32-14-11-22-41-39(32)45)46-34-20-18-30-29-13-7-8-16-33(29)44(37(30)26(34)3)36-17-9-10-23-42(36)5;1-14(2)16-9-6-10-17-18-11-5-8-15(3)22(18)26-23(20(16)17)21-19(25(26)4)12-7-13-24-21;1-14(2)16-9-7-10-18-20(16)21-22(15(3)12-13-24-21)26-23(18)17-8-5-6-11-19(17)25(26)4;1-14(2)16-12-11-15(3)22-20(16)21-18(9-7-13-24-21)23-17-8-5-6-10-19(17)25(4)26(22)23;1-12(2)18-20-17-15(10-7-11-21-17)16-9-6-8-13(3)19(16)23(20)14(4)22(18)5;1-12(2)15-7-6-8-16-17-11-22(5)14(4)23(17)20-13(3)9-10-21-19(20)18(15)16;1-12(2)14-6-5-7-15-16-9-11-21(4)22(16)19-13(3)8-10-20-18(19)17(14)15;1-12(2)14-6-5-7-15-17(14)18-16(13(3)8-9-20-18)19-21(4)10-11-22(15)19/h7-25H,1-6H3;3*5-14H,1-4H3;2*6-12,14H,1-5H3;2*5-12H,1-4H3/q+2;3*+1;;;2*+1/t;;;;2*14-;;/m....00../s1
• InChIKey: QDUJXBYAWLQERS-XVFQFFRRSA-N
• XLogP: 40.49
• TPSA: 186.60 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2816.75
LogP ≤ 5	40.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene?

The IUPAC name of 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene (CID 158178655) is 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene.

What is the SMILES notation for 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene?

The canonical SMILES for 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene is Cc1c(Oc2ccc3c4cccnc4n(-c4c(C(C)C)ccc[n+]4C)c3c2C)ccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1ccc(C(C)C)c2c3ncccc3c3c4ccccc4n(C)[n+]3c12.Cc1cccc2c1N1C(=C(C(C)C)N(C)[C@@H]1C)c1ncccc1-2.Cc1cccc2c3cccc(C(C)C)c3c3c4ncccc4n(C)[n+]3c12.Cc1ccnc2c1N1C(=CN(C)[C@@H]1C)c1cccc(C(C)C)c1-2.Cc1ccnc2c3c(C(C)C)cccc3c3c4ccccc4n(C)[n+]3c12.Cc1ccnc2c3c(C(C)C)cccc3c3cc[n+](C)n3c12.Cc1ccnc2c3c(C(C)C)cccc3n3cc[n+](C)c3c12.

What is the InChIKey of 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene?

The InChIKey is QDUJXBYAWLQERS-XVFQFFRRSA-N. The full InChI is InChI=1S/C40H37N5O.3C23H22N3.2C20H23N3.2C19H20N3/c1-25(2)28-15-12-24-43(6)40(28)45-38-27(4)35(21-19-31(38)32-14-11-22-41-39(32)45)46-34-20-18-30-29-13-7-8-16-33(29)44(37(30)26(34)3)36-17-9-10-23-42(36)5;1-14(2)16-9-6-10-17-18-11-5-8-15(3)22(18)26-23(20(16)17)21-19(25(26)4)12-7-13-24-21;1-14(2)16-9-7-10-18-20(16)21-22(15(3)12-13-24-21)26-23(18)17-8-5-6-11-19(17)25(26)4;1-14(2)16-12-11-15(3)22-20(16)21-18(9-7-13-24-21)23-17-8-5-6-10-19(17)25(4)26(22)23;1-12(2)18-20-17-15(10-7-11-21-17)16-9-6-8-13(3)19(16)23(20)14(4)22(18)5;1-12(2)15-7-6-8-16-17-11-22(5)14(4)23(17)20-13(3)9-10-21-19(20)18(15)16;1-12(2)14-6-5-7-15-16-9-11-21(4)22(16)19-13(3)8-10-20-18(19)17(14)15;1-12(2)14-6-5-7-15-17(14)18-16(13(3)8-9-20-18)19-21(4)10-11-22(15)19/h7-25H,1-6H3;3*5-14H,1-4H3;2*6-12,14H,1-5H3;2*5-12H,1-4H3/q+2;3*+1;;;2*+1/t;;;;2*14-;;/m....00../s1.

What are the key properties of 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene?

3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene has a molecular weight of 2816.75 g/mol, XLogP of 40.49, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,21-dimethyl-6-propan-2-yl-9,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-9-propan-2-yl-6,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene;3,21-dimethyl-12-propan-2-yl-16,21-diaza-1-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene;3,17-dimethyl-11-propan-2-yl-2,14-diaza-3-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;5,8-dimethyl-14-propan-2-yl-2,11-diaza-5-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene;8-methyl-7-[1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-yl]oxy-9-(1-methyl-3-propan-2-ylpyridin-1-ium-2-yl)pyrido[2,3-b]indole;(3S)-3,4,17-trimethyl-5-propan-2-yl-2,4,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene;(3S)-3,4,17-trimethyl-11-propan-2-yl-2,4,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),5,7(12),8,10,13,15-heptaene is sourced from PubChem (CID 158178655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).