3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium

C221H329N29+4 — CID 160874898

IUPAC3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n3c4ccccc4[n+](C)c3c12.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2cccnc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccncc2N(C)[C@@H]1C.Cc1ccccc1N1c2cnccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C.Cc1ccccc1N1c2nccnc2N(C)[C@@H]1C.Cc1ccnc2c3ccccc3n3c4ccccc4[n+](C)c3c12
InChIInChI=1S/C21H17N2.C20H16N3.C17H15N2.C16H18N2.4C15H17N3.C14H16N4.C12H16N2.C11H13N2.25C2H6/c1-14-8-7-10-16-15-9-3-4-11-17(15)23-19-13-6-5-12-18(19)22(2)21(23)20(14)16;1-13-11-12-21-19-14-7-3-4-8-15(14)23-17-10-6-5-9-16(17)22(2)20(23)18(13)19;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-11-7-4-5-8-13(11)18-12(2)17(3)15-14(18)9-6-10-16-15;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-11-6-4-5-7-13(11)18-12(2)17(3)15-10-16-9-8-14(15)18;1-11-6-4-5-7-13(11)18-12(2)17(3)14-8-9-16-10-15(14)18;1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;25*1-2/h3-13H,1-2H3;3-12H,1-2H3;3-11H,1-2H3;4-11,13H,1-3H3;4*4-10,12H,1-3H3;4-9,11H,1-3H3;4-9,11H,1-3H3;3-9H,1-2H3;25*1-2H3/q3*+1;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;13-;4*12-;2*11-;;;;;;;;;;;;;;;;;;;;;;;;;;/m...0000000........................../s1
InChIKeyPSTXZINRXWAEKJ-NOIYYUNZSA-N
MW3392.27 g/mol
LogP61.61
Rot. Bonds8

About 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium

3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium (PubChem CID 160874898) has the molecular formula C221H329N29+4 and a molecular weight of 3392.27 g/mol. Its IUPAC name is 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium.

Molecular Properties

Compound Name3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
PubChem CID160874898
Molecular FormulaC221H329N29+4
Molecular Weight3392.27 g/mol
Exact Mass3389.66
IUPAC Name3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n3c4ccccc4[n+](C)c3c12.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2cccnc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccncc2N(C)[C@@H]1C.Cc1ccccc1N1c2cnccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C.Cc1ccccc1N1c2nccnc2N(C)[C@@H]1C.Cc1ccnc2c3ccccc3n3c4ccccc4[n+](C)c3c12
InChIInChI=1S/C21H17N2.C20H16N3.C17H15N2.C16H18N2.4C15H17N3.C14H16N4.C12H16N2.C11H13N2.25C2H6/c1-14-8-7-10-16-15-9-3-4-11-17(15)23-19-13-6-5-12-18(19)22(2)21(23)20(14)16;1-13-11-12-21-19-14-7-3-4-8-15(14)23-17-10-6-5-9-16(17)22(2)20(23)18(13)19;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-11-7-4-5-8-13(11)18-12(2)17(3)15-14(18)9-6-10-16-15;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-11-6-4-5-7-13(11)18-12(2)17(3)15-10-16-9-8-14(15)18;1-11-6-4-5-7-13(11)18-12(2)17(3)14-8-9-16-10-15(14)18;1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;25*1-2/h3-13H,1-2H3;3-12H,1-2H3;3-11H,1-2H3;4-11,13H,1-3H3;4*4-10,12H,1-3H3;4-9,11H,1-3H3;4-9,11H,1-3H3;3-9H,1-2H3;25*1-2H3/q3*+1;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;13-;4*12-;2*11-;;;;;;;;;;;;;;;;;;;;;;;;;;/m...0000000........................../s1
InChIKeyPSTXZINRXWAEKJ-NOIYYUNZSA-N
XLogP61.61
TPSA169.27 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds8
Heavy Atoms250
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003392.27
LogP ≤ 561.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
The IUPAC name of 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium (CID 160874898) is 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium.
What is the SMILES notation for 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
The canonical SMILES for 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n3c4ccccc4[n+](C)c3c12.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.Cc1ccccc1N1c2cccnc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccncc2N(C)[C@@H]1C.Cc1ccccc1N1c2cnccc2N(C)[C@@H]1C.Cc1ccccc1N1c2ncccc2N(C)[C@@H]1C.Cc1ccccc1N1c2nccnc2N(C)[C@@H]1C.Cc1ccnc2c3ccccc3n3c4ccccc4[n+](C)c3c12.
What is the InChIKey of 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
The InChIKey is PSTXZINRXWAEKJ-NOIYYUNZSA-N. The full InChI is InChI=1S/C21H17N2.C20H16N3.C17H15N2.C16H18N2.4C15H17N3.C14H16N4.C12H16N2.C11H13N2.25C2H6/c1-14-8-7-10-16-15-9-3-4-11-17(15)23-19-13-6-5-12-18(19)22(2)21(23)20(14)16;1-13-11-12-21-19-14-7-3-4-8-15(14)23-17-10-6-5-9-16(17)22(2)20(23)18(13)19;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-11-7-4-5-8-13(11)18-12(2)17(3)15-14(18)9-6-10-16-15;1-11-7-4-5-8-13(11)18-12(2)17(3)14-9-6-10-16-15(14)18;1-11-6-4-5-7-13(11)18-12(2)17(3)15-10-16-9-8-14(15)18;1-11-6-4-5-7-13(11)18-12(2)17(3)14-8-9-16-10-15(14)18;1-10-6-4-5-7-12(10)18-11(2)17(3)13-14(18)16-9-8-15-13;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;25*1-2/h3-13H,1-2H3;3-12H,1-2H3;3-11H,1-2H3;4-11,13H,1-3H3;4*4-10,12H,1-3H3;4-9,11H,1-3H3;4-9,11H,1-3H3;3-9H,1-2H3;25*1-2H3/q3*+1;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;13-;4*12-;2*11-;;;;;;;;;;;;;;;;;;;;;;;;;;/m...0000000........................../s1.
What are the key properties of 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium has a molecular weight of 3392.27 g/mol, XLogP of 61.61, 8 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3,21-dimethyl-14-aza-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-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;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium is sourced from PubChem (CID 160874898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).