bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium

C251H402N32+4 — CID 157066774

IUPACbis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
SMILESC.C.C.C.C.C.C.C.C.C.C.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.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n3c4ccccc4[n+](C)c3c12.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.Cc1ccccc1N1c2ncncc2N(C)[C@@H]1C
InChIInChI=1S/2C21H17N2.C17H15N2.C16H18N2.4C15H17N3.2C14H16N4.C12H16N2.C11H13N2.27C2H6.11CH4/c2*1-14-8-7-10-16-15-9-3-4-11-17(15)23-19-13-6-5-12-18(19)22(2)21(23)20(14)16;1-12-6-5-9-15-13-7-3-4-8-14(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)13-8-15-9-16-14(13)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;27*1-2;;;;;;;;;;;/h2*3-13H,1-2H3;3-11H,1-2H3;4-11,13H,1-3H3;4*4-10,12H,1-3H3;2*4-9,11H,1-3H3;4-9,11H,1-3H3;3-9H,1-2H3;27*1-2H3;11*1H4/q3*+1;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;13-;4*12-;3*11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m...00000000......................................./s1
InChIKeyBNLFMESRQMIJFZ-WJCCXRKJSA-N
MW3868.20 g/mol
LogP73.98
Rot. Bonds9

About bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium

bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium (PubChem CID 157066774) has the molecular formula C251H402N32+4 and a molecular weight of 3868.20 g/mol. Its IUPAC name is bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium.

Molecular Properties

Compound Namebis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
PubChem CID157066774
Molecular FormulaC251H402N32+4
Molecular Weight3868.20 g/mol
Exact Mass3865.24
IUPAC Namebis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
SMILESC.C.C.C.C.C.C.C.C.C.C.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.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n3c4ccccc4[n+](C)c3c12.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.Cc1ccccc1N1c2ncncc2N(C)[C@@H]1C
InChIInChI=1S/2C21H17N2.C17H15N2.C16H18N2.4C15H17N3.2C14H16N4.C12H16N2.C11H13N2.27C2H6.11CH4/c2*1-14-8-7-10-16-15-9-3-4-11-17(15)23-19-13-6-5-12-18(19)22(2)21(23)20(14)16;1-12-6-5-9-15-13-7-3-4-8-14(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)13-8-15-9-16-14(13)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;27*1-2;;;;;;;;;;;/h2*3-13H,1-2H3;3-11H,1-2H3;4-11,13H,1-3H3;4*4-10,12H,1-3H3;2*4-9,11H,1-3H3;4-9,11H,1-3H3;3-9H,1-2H3;27*1-2H3;11*1H4/q3*+1;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;13-;4*12-;3*11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m...00000000......................................./s1
InChIKeyBNLFMESRQMIJFZ-WJCCXRKJSA-N
XLogP73.98
TPSA188.64 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds9
Heavy Atoms283
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003868.20
LogP ≤ 573.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
The IUPAC name of bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium (CID 157066774) is bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium.
What is the SMILES notation for bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
The canonical SMILES for bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium is C.C.C.C.C.C.C.C.C.C.C.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.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n3c4ccccc4[n+](C)c3c12.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.Cc1ccccc1N1c2ncncc2N(C)[C@@H]1C.
What is the InChIKey of bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
The InChIKey is BNLFMESRQMIJFZ-WJCCXRKJSA-N. The full InChI is InChI=1S/2C21H17N2.C17H15N2.C16H18N2.4C15H17N3.2C14H16N4.C12H16N2.C11H13N2.27C2H6.11CH4/c2*1-14-8-7-10-16-15-9-3-4-11-17(15)23-19-13-6-5-12-18(19)22(2)21(23)20(14)16;1-12-6-5-9-15-13-7-3-4-8-14(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)13-8-15-9-16-14(13)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;27*1-2;;;;;;;;;;;/h2*3-13H,1-2H3;3-11H,1-2H3;4-11,13H,1-3H3;4*4-10,12H,1-3H3;2*4-9,11H,1-3H3;4-9,11H,1-3H3;3-9H,1-2H3;27*1-2H3;11*1H4/q3*+1;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;13-;4*12-;3*11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m...00000000......................................./s1.
What are the key properties of bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium?
bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium has a molecular weight of 3868.20 g/mol, XLogP of 73.98, 9 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(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);(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;(8S)-7,8-dimethyl-9-(2-methylphenyl)-8H-purine;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium is sourced from PubChem (CID 157066774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).