About 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (PubChem CID 159604034) has the molecular formula C180H174N21+9
and a molecular weight of 2631.52 g/mol. Its IUPAC name is 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.
Frequently Asked Questions
What is the IUPAC name of 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The IUPAC name of 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (CID 159604034) is 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.
What is the SMILES notation for 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The canonical SMILES for 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is Cc1cc(C)c(C)c(-c2cc3c(c[n+]2C)-c2ccc(C)nc2C3)c1.Cc1cc(C)c(C)c(-c2cc3c(c[n+]2C)-c2cccnc2C3)c1.Cc1cc(C)c(C)c(-c2cc3c(c[n+]2C)-c2ccncc2C3)c1.Cc1cc(C)c(C)c(-c2cc3c(c[n+]2C)-c2cnccc2C3)c1.Cc1cc(C)c(C)c(-c2cc3c(c[n+]2C)-c2ncccc2C3)c1.Cc1ccc2c(n1)Cc1c-2cnc(-c2ccccc2C)[n+]1C.Cc1ccccc1-c1ncc2c([n+]1C)Cc1ccccc1-2.Cc1ccccc1-c1ncc2c([n+]1C)Cc1cnccc1-2.Cc1ccccc1-c1ncc2c([n+]1C)Cc1ncccc1-2.
What is the InChIKey of 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The InChIKey is XYUPDDHYYVJENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N2.4C21H21N2.C19H18N3.C19H17N2.2C18H16N3/c1-13-8-14(2)16(4)19(9-13)22-11-17-10-21-18(7-6-15(3)23-21)20(17)12-24(22)5;1-13-7-14(2)15(3)19(8-13)21-10-16-9-17-11-22-6-5-18(17)20(16)12-23(21)4;1-13-7-14(2)15(3)18(8-13)21-10-17-9-16-5-6-22-11-19(16)20(17)12-23(21)4;1-13-8-14(2)15(3)18(9-13)21-11-16-10-20-17(6-5-7-22-20)19(16)12-23(21)4;1-13-8-14(2)15(3)18(9-13)20-11-17-10-16-6-5-7-22-21(16)19(17)12-23(20)4;1-12-6-4-5-7-14(12)19-20-11-16-15-9-8-13(2)21-17(15)10-18(16)22(19)3;1-13-7-3-5-9-15(13)19-20-12-17-16-10-6-4-8-14(16)11-18(17)21(19)2;1-12-6-3-4-7-13(12)18-20-11-15-14-8-5-9-19-16(14)10-17(15)21(18)2;1-12-5-3-4-6-14(12)18-20-11-16-15-7-8-19-10-13(15)9-17(16)21(18)2/h6-9,11-12H,10H2,1-5H3;2*5-8,10-12H,9H2,1-4H3;2*5-9,11-12H,10H2,1-4H3;4-9,11H,10H2,1-3H3;3-10,12H,11H2,1-2H3;3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3/q9*+1.
What are the key properties of 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene has a molecular weight of 2631.52 g/mol, XLogP of 32.96, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dimethyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,11-dimethyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-methyl-5-(2-methylphenyl)-4,11-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-methyl-2-(2-methylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium;4-methyl-5-(2,3,5-trimethylphenyl)-10-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-11-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methyl-5-(2,3,5-trimethylphenyl)-12-aza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-methyl-11-(2,3,5-trimethylphenyl)-3-aza-12-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is sourced from PubChem (CID 159604034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).