10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene

C140H116N16+6 — CID 158464373

IUPAC10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
SMILESCc1cc(-c2c(C)c3cccc4c5ccccc5n2c34)[n+](C)cn1.Cc1cc(-c2c(C)n3c4ccccc4c4cccc2c43)[n+](C)cn1.Cc1cc[n+](C)c(-c2c(C)c3cccc4c5ccccc5n2c34)c1.Cc1cc[n+](C)c(-c2c(C)n3c4ccccc4c4cccc2c43)c1.Cc1nc2cc3ccccc3cc2[n+](C)c1-c1c(C)n2c3ccccc3c3cccc1c32.Cc1nc2ccccc2[n+](C)c1-c1c(C)n2c3ccccc3c3cccc1c32
InChIInChI=1S/C29H22N3.C25H20N3.2C22H19N2.2C21H18N3/c1-17-28(31(3)26-16-20-10-5-4-9-19(20)15-24(26)30-17)27-18(2)32-25-14-7-6-11-21(25)22-12-8-13-23(27)29(22)32;1-15-24(27(3)22-14-7-5-12-20(22)26-15)23-16(2)28-21-13-6-4-9-17(21)18-10-8-11-19(23)25(18)28;1-14-11-12-23(3)20(13-14)21-15(2)16-8-6-9-18-17-7-4-5-10-19(17)24(21)22(16)18;1-14-11-12-23(3)20(13-14)21-15(2)24-19-10-5-4-7-16(19)17-8-6-9-18(21)22(17)24;1-13-11-19(23(3)12-22-13)20-14(2)15-8-6-9-17-16-7-4-5-10-18(16)24(20)21(15)17;1-13-11-19(23(3)12-22-13)20-14(2)24-18-10-5-4-7-15(18)16-8-6-9-17(20)21(16)24/h4-16H,1-3H3;4-14H,1-3H3;2*4-13H,1-3H3;2*4-12H,1-3H3/q6*+1
InChIKeyYQGOFQQGTKHBNF-UHFFFAOYSA-N
MW2022.58 g/mol
LogP29.79
Rot. Bonds6

About 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene

10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene (PubChem CID 158464373) has the molecular formula C140H116N16+6 and a molecular weight of 2022.58 g/mol. Its IUPAC name is 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene.

Molecular Properties

Compound Name10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
PubChem CID158464373
Molecular FormulaC140H116N16+6
Molecular Weight2022.58 g/mol
Exact Mass2020.95
IUPAC Name10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
SMILESCc1cc(-c2c(C)c3cccc4c5ccccc5n2c34)[n+](C)cn1.Cc1cc(-c2c(C)n3c4ccccc4c4cccc2c43)[n+](C)cn1.Cc1cc[n+](C)c(-c2c(C)c3cccc4c5ccccc5n2c34)c1.Cc1cc[n+](C)c(-c2c(C)n3c4ccccc4c4cccc2c43)c1.Cc1nc2cc3ccccc3cc2[n+](C)c1-c1c(C)n2c3ccccc3c3cccc1c32.Cc1nc2ccccc2[n+](C)c1-c1c(C)n2c3ccccc3c3cccc1c32
InChIInChI=1S/C29H22N3.C25H20N3.2C22H19N2.2C21H18N3/c1-17-28(31(3)26-16-20-10-5-4-9-19(20)15-24(26)30-17)27-18(2)32-25-14-7-6-11-21(25)22-12-8-13-23(27)29(22)32;1-15-24(27(3)22-14-7-5-12-20(22)26-15)23-16(2)28-21-13-6-4-9-17(21)18-10-8-11-19(23)25(18)28;1-14-11-12-23(3)20(13-14)21-15(2)16-8-6-9-18-17-7-4-5-10-19(17)24(21)22(16)18;1-14-11-12-23(3)20(13-14)21-15(2)24-19-10-5-4-7-16(19)17-8-6-9-18(21)22(17)24;1-13-11-19(23(3)12-22-13)20-14(2)15-8-6-9-17-16-7-4-5-10-18(16)24(20)21(15)17;1-13-11-19(23(3)12-22-13)20-14(2)24-18-10-5-4-7-15(18)16-8-6-9-17(20)21(16)24/h4-16H,1-3H3;4-14H,1-3H3;2*4-13H,1-3H3;2*4-12H,1-3H3/q6*+1
InChIKeyYQGOFQQGTKHBNF-UHFFFAOYSA-N
XLogP29.79
TPSA101.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002022.58
LogP ≤ 529.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene with MolForge

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Related Compounds

9-(2,4-dimethylphthalazin-2-ium-1-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene
CID 158478380
1,4-dimethyl-6-(3-methylphenanthren-4-yl)pyrimidin-1-ium
CID 147766854
1-(3,6-dimethylpyrimidin-3-ium-4-yl)-2-methyl-3-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole
CID 158388340
2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium
CID 158923676
1-(3,6-dimethylpyrimidin-3-ium-4-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole
CID 159475397
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
12-methyl-13-(1-methylpyridin-1-ium-2-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4,6,8,10(28),11,13,17,19,21,23(27),24-tridecaene
CID 165161298
bis(1,4-dimethyl-6-(8-methylnaphtho[2,1-b][1]benzofuran-9-yl)pyrimidin-1-ium);bis(1,4,5-trimethyl-2-(8-methylnaphtho[2,1-b][1]benzofuran-9-yl)quinolin-1-ium)
CID 161027971
1,4-dimethyl-2-(2,5,5,6,6-pentamethylbenzo[a]anthracen-1-yl)pyridin-1-ium
CID 140940594
2-(3,6-dimethylpyrimidin-3-ium-4-yl)-3-methyl-11H-indolo[1,2-a]benzimidazole
CID 158354299
9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-[1]benzofuro[3,2-c]isoquinoline
CID 157100700
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299

Frequently Asked Questions

What is the IUPAC name of 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?
The IUPAC name of 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene (CID 158464373) is 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene.
What is the SMILES notation for 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?
The canonical SMILES for 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene is Cc1cc(-c2c(C)c3cccc4c5ccccc5n2c34)[n+](C)cn1.Cc1cc(-c2c(C)n3c4ccccc4c4cccc2c43)[n+](C)cn1.Cc1cc[n+](C)c(-c2c(C)c3cccc4c5ccccc5n2c34)c1.Cc1cc[n+](C)c(-c2c(C)n3c4ccccc4c4cccc2c43)c1.Cc1nc2cc3ccccc3cc2[n+](C)c1-c1c(C)n2c3ccccc3c3cccc1c32.Cc1nc2ccccc2[n+](C)c1-c1c(C)n2c3ccccc3c3cccc1c32.
What is the InChIKey of 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?
The InChIKey is YQGOFQQGTKHBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N3.C25H20N3.2C22H19N2.2C21H18N3/c1-17-28(31(3)26-16-20-10-5-4-9-19(20)15-24(26)30-17)27-18(2)32-25-14-7-6-11-21(25)22-12-8-13-23(27)29(22)32;1-15-24(27(3)22-14-7-5-12-20(22)26-15)23-16(2)28-21-13-6-4-9-17(21)18-10-8-11-19(23)25(18)28;1-14-11-12-23(3)20(13-14)21-15(2)16-8-6-9-18-17-7-4-5-10-19(17)24(21)22(16)18;1-14-11-12-23(3)20(13-14)21-15(2)24-19-10-5-4-7-16(19)17-8-6-9-18(21)22(17)24;1-13-11-19(23(3)12-22-13)20-14(2)15-8-6-9-17-16-7-4-5-10-18(16)24(20)21(15)17;1-13-11-19(23(3)12-22-13)20-14(2)24-18-10-5-4-7-15(18)16-8-6-9-17(20)21(16)24/h4-16H,1-3H3;4-14H,1-3H3;2*4-13H,1-3H3;2*4-12H,1-3H3/q6*+1.
What are the key properties of 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?
10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene has a molecular weight of 2022.58 g/mol, XLogP of 29.79, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-dimethylbenzo[g]quinoxalin-4-ium-3-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(1,4-dimethylpyridin-1-ium-2-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(1,4-dimethylpyridin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;9-(3,6-dimethylpyrimidin-3-ium-4-yl)-10-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-(3,6-dimethylpyrimidin-3-ium-4-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;10-(1,3-dimethylquinoxalin-1-ium-2-yl)-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene is sourced from PubChem (CID 158464373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).