3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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

C178H173FN22O9+10 — CID 159387614

About 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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 (PubChem CID 159387614) has the molecular formula C178H173FN22O9+10 and a molecular weight of 2783.48 g/mol. Its IUPAC name is 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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.

Molecular Properties

• Compound Name: 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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
• PubChem CID: 159387614
• Molecular Formula: C178H173FN22O9+10
• Molecular Weight: 2783.48 g/mol
• Exact Mass: 2781.37
• IUPAC Name: 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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
• SMILES: C=C(OC)c1cccc(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)[n+]1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)cccc1Oc1cccc[n+]1C.Cc1ccccc1Oc1cccc(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)[n+]1C.Cc1nc(C)c(Oc2cccc[n+]2C)c(C)c1Oc1cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c2c1C.Cc1nc(F)c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)c(C)c1Cc1cccc[n+]1C
• InChI: InChI=1S/C37H36FN5O.C37H37N5O2.2C36H34N4O2.C32H32N4O2/c1-21(2)26-14-12-17-30-33(26)34-32(37-42(7)28-15-8-9-16-29(28)43(30)37)23(4)31(20-39-34)44-35-22(3)27(24(5)40-36(35)38)19-25-13-10-11-18-41(25)6;1-21(2)26-14-13-17-29-33(26)34-32(37-41(8)27-15-9-10-16-28(27)42(29)37)22(3)30(20-38-34)43-35-23(4)36(25(6)39-24(35)5)44-31-18-11-12-19-40(31)7;1-22(2)25-14-11-17-28-34(25)35-33(36-38(5)26-15-8-9-16-27(26)40(28)36)24(4)30(21-37-35)42-32-20-12-19-31(39(32)6)41-29-18-10-7-13-23(29)3;1-22(2)25-13-11-16-28-34(25)35-33(36-39(6)26-14-7-8-15-27(26)40(28)36)24(4)31(21-37-35)41-29-17-12-18-30(23(29)3)42-32-19-9-10-20-38(32)5;1-19(2)22-12-10-16-26-30(22)31-29(32-35(6)24-13-8-9-14-25(24)36(26)32)20(3)27(18-33-31)38-28-17-11-15-23(34(28)5)21(4)37-7/h8-18,20-21H,19H2,1-7H3;9-21H,1-8H3;2*7-22H,1-6H3;8-19H,4H2,1-3,5-7H3/q5*+2
• InChIKey: HNWJKGVIJXKXJH-UHFFFAOYSA-N
• XLogP: 37.01
• TPSA: 234.15 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2783.48
LogP ≤ 5	37.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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?

The IUPAC name of 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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 (CID 159387614) is 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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.

What is the SMILES notation for 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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?

The canonical SMILES for 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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 is C=C(OC)c1cccc(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)[n+]1C.Cc1c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)cccc1Oc1cccc[n+]1C.Cc1ccccc1Oc1cccc(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)[n+]1C.Cc1nc(C)c(Oc2cccc[n+]2C)c(C)c1Oc1cnc2c3c(C(C)C)cccc3n3c4ccccc4[n+](C)c3c2c1C.Cc1nc(F)c(Oc2cnc3c4c(C(C)C)cccc4n4c5ccccc5[n+](C)c4c3c2C)c(C)c1Cc1cccc[n+]1C.

What is the InChIKey of 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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?

The InChIKey is HNWJKGVIJXKXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36FN5O.C37H37N5O2.2C36H34N4O2.C32H32N4O2/c1-21(2)26-14-12-17-30-33(26)34-32(37-42(7)28-15-8-9-16-29(28)43(30)37)23(4)31(20-39-34)44-35-22(3)27(24(5)40-36(35)38)19-25-13-10-11-18-41(25)6;1-21(2)26-14-13-17-29-33(26)34-32(37-41(8)27-15-9-10-16-28(27)42(29)37)22(3)30(20-38-34)43-35-23(4)36(25(6)39-24(35)5)44-31-18-11-12-19-40(31)7;1-22(2)25-14-11-17-28-34(25)35-33(36-38(5)26-15-8-9-16-27(26)40(28)36)24(4)30(21-37-35)42-32-20-12-19-31(39(32)6)41-29-18-10-7-13-23(29)3;1-22(2)25-13-11-16-28-34(25)35-33(36-39(6)26-14-7-8-15-27(26)40(28)36)24(4)31(21-37-35)41-29-17-12-18-30(23(29)3)42-32-19-9-10-20-38(32)5;1-19(2)22-12-10-16-26-30(22)31-29(32-35(6)24-13-8-9-14-25(24)36(26)32)20(3)27(18-33-31)38-28-17-11-15-23(34(28)5)21(4)37-7/h8-18,20-21H,19H2,1-7H3;9-21H,1-8H3;2*7-22H,1-6H3;8-19H,4H2,1-3,5-7H3/q5*+2.

What are the key properties of 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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 has a molecular weight of 2783.48 g/mol, XLogP of 37.01, 25 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3,21-dimethyl-4-[1-methyl-6-(2-methylphenoxy)pyridin-1-ium-2-yl]oxy-9-propan-2-yl-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-4-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenoxy]-9-propan-2-yl-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-9-propan-2-yl-4-[[2,4,6-trimethyl-5-(1-methylpyridin-1-ium-2-yl)oxy-3-pyridinyl]oxy]-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;4-[[2-fluoro-4,6-dimethyl-5-[(1-methylpyridin-1-ium-2-yl)methyl]-3-pyridinyl]oxy]-3,21-dimethyl-9-propan-2-yl-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;4-[6-(1-methoxyethenyl)-1-methylpyridin-1-ium-2-yl]oxy-3,21-dimethyl-9-propan-2-yl-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 is sourced from PubChem (CID 159387614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).