11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene

C87H65N14OS+5 — CID 159276866

IUPAC11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene
SMILESC[n+]1c2n(c3cn4ccccc4c31)Cc1ccccc1-2.[2H]C([2H])([2H])[n+]1c2n(c3cn4ccccc4c31)Cc1ccccc1-2.c1ccc(-n2c3[n+](c4c2cn2ccccc42)Cc2ccccc2-3)cc1.c1ccc2c(c1)C[n+]1c-2oc2cn3ccccc3c21.c1ccc2c(c1)C[n+]1c-2sc2cn3cnccc3c21
InChIInChI=1S/C22H16N3.2C17H14N3.C16H11N2O.C15H10N3S/c1-2-9-17(10-3-1)25-20-15-23-13-7-6-12-19(23)21(20)24-14-16-8-4-5-11-18(16)22(24)25;2*1-18-16-14-8-4-5-9-19(14)11-15(16)20-10-12-6-2-3-7-13(12)17(18)20;1-2-6-12-11(5-1)9-18-15-13-7-3-4-8-17(13)10-14(15)19-16(12)18;1-2-4-11-10(3-1)7-18-14-12-5-6-16-9-17(12)8-13(14)19-15(11)18/h1-13,15H,14H2;2*2-9,11H,10H2,1H3;1-8,10H,9H2;1-6,8-9H,7H2/q5*+1/i;1D3;;;
InChIKeyOWCKINMZZOCMJC-IOWXISALSA-N
MW1357.66 g/mol
LogP15.56
Rot. Bonds2

About 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene

11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene (PubChem CID 159276866) has the molecular formula C87H65N14OS+5 and a molecular weight of 1357.66 g/mol. Its IUPAC name is 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene.

Molecular Properties

Compound Name11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene
PubChem CID159276866
Molecular FormulaC87H65N14OS+5
Molecular Weight1357.66 g/mol
Exact Mass1356.53
IUPAC Name11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene
SMILESC[n+]1c2n(c3cn4ccccc4c31)Cc1ccccc1-2.[2H]C([2H])([2H])[n+]1c2n(c3cn4ccccc4c31)Cc1ccccc1-2.c1ccc(-n2c3[n+](c4c2cn2ccccc42)Cc2ccccc2-3)cc1.c1ccc2c(c1)C[n+]1c-2oc2cn3ccccc3c21.c1ccc2c(c1)C[n+]1c-2sc2cn3cnccc3c21
InChIInChI=1S/C22H16N3.2C17H14N3.C16H11N2O.C15H10N3S/c1-2-9-17(10-3-1)25-20-15-23-13-7-6-12-19(23)21(20)24-14-16-8-4-5-11-18(16)22(24)25;2*1-18-16-14-8-4-5-9-19(14)11-15(16)20-10-12-6-2-3-7-13(12)17(18)20;1-2-6-12-11(5-1)9-18-15-13-7-3-4-8-17(13)10-14(15)19-16(12)18;1-2-4-11-10(3-1)7-18-14-12-5-6-16-9-17(12)8-13(14)19-15(11)18/h1-13,15H,14H2;2*2-9,11H,10H2,1H3;1-8,10H,9H2;1-6,8-9H,7H2/q5*+1/i;1D3;;;
InChIKeyOWCKINMZZOCMJC-IOWXISALSA-N
XLogP15.56
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001357.66
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
CID 158466648
CID 158466648
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
Heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
CID 160721412
[2-[(4,6-Dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 161412245
4-[5-(Benzimidazolo[2,1-b][1,3]benzothiazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-12-(5-methylbenzimidazolo[1,2-a]benzimidazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 117854961
6-[5-(Benzimidazolo[2,1-b][1,3]benzothiazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-10-(5-methylbenzimidazolo[1,2-a]benzimidazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 117854962
6-[5-(Benzimidazolo[2,1-b][1,3]benzothiazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-10-[2-(2-ethenyl-3-methylimidazo[1,2-a]benzimidazol-1-yl)ethenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 123323539
7-[27-[13-(Benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-2,5,8,11,14,17,20,23-octazanonacyclo[22.18.0.03,22.04,9.010,15.016,21.025,30.031,36.037,42]dotetraconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31,33,35,37,39,41-henicosaen-6-yl]-2,5,8,11,14,17,20,23-octazanonacyclo[22.18.0.03,22.04,9.010,15.016,21.025,30.031,36.037,42]dotetraconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25(30),26,28,31(36),32,34,37,39,41-henicosaen-33-yl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 137458380
4-[13-(8-Thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 138721896

Frequently Asked Questions

What is the IUPAC name of 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene?
The IUPAC name of 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene (CID 159276866) is 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene.
What is the SMILES notation for 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene?
The canonical SMILES for 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene is C[n+]1c2n(c3cn4ccccc4c31)Cc1ccccc1-2.[2H]C([2H])([2H])[n+]1c2n(c3cn4ccccc4c31)Cc1ccccc1-2.c1ccc(-n2c3[n+](c4c2cn2ccccc42)Cc2ccccc2-3)cc1.c1ccc2c(c1)C[n+]1c-2oc2cn3ccccc3c21.c1ccc2c(c1)C[n+]1c-2sc2cn3cnccc3c21.
What is the InChIKey of 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene?
The InChIKey is OWCKINMZZOCMJC-IOWXISALSA-N. The full InChI is InChI=1S/C22H16N3.2C17H14N3.C16H11N2O.C15H10N3S/c1-2-9-17(10-3-1)25-20-15-23-13-7-6-12-19(23)21(20)24-14-16-8-4-5-11-18(16)22(24)25;2*1-18-16-14-8-4-5-9-19(14)11-15(16)20-10-12-6-2-3-7-13(12)17(18)20;1-2-6-12-11(5-1)9-18-15-13-7-3-4-8-17(13)10-14(15)19-16(12)18;1-2-4-11-10(3-1)7-18-14-12-5-6-16-9-17(12)8-13(14)19-15(11)18/h1-13,15H,14H2;2*2-9,11H,10H2,1H3;1-8,10H,9H2;1-6,8-9H,7H2/q5*+1/i;1D3;;;.
What are the key properties of 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene?
11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene has a molecular weight of 1357.66 g/mol, XLogP of 15.56, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene;11-oxa-8-aza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-phenyl-8,11-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-thia-6,8-diaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13,15,17-octaene;11-(trideuteriomethyl)-1,4-diaza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13,15,17-octaene is sourced from PubChem (CID 159276866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).