8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole)

C209H205N25S+8 — CID 159710249

IUPAC8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole)
SMILESCc1c(-c2c3scc(C(C)C)c3nc[n+]2C)c2c(nc3n2C=CC3)c2ccccc12.Cc1cc2nc3n(c2c(-c2cc(C)c4c(C)cccc4[n+]2C)c1C)-c1ccccc1C3.Cc1cc2nc3n(c2c(-c2ccc4c(CC(C)C)cccc4[n+]2C)c1C)-c1ccccc1C3.Cc1ccc2nc3n(c2c1-c1cc(C)c2c(C)cccc2[n+]1C)C=CC3.Cc1ccc2nc3n(c2c1-c1cc(C)c2c(C)cccc2[n+]1C)C=CC3.Cc1ccc2nc3n(c2c1-c1ccc2c(CC(C)C)cccc2[n+]1C)C=CC3.[2H]C([2H])([2H])c1cc2nc3n(c2c(-c2ccc4c(C([2H])([2H])C(C)C)cccc4[n+]2C)c1C)-c1ccccc1C3.[2H]C([2H])(c1cccc2c1ccc(-c1c(C)ccc3nc4n(c13)C=CC4)[n+]2C)C(C)C
InChIInChI=1S/2C30H30N3.C28H26N3.C25H23N4S.2C25H26N3.2C23H22N3/c2*1-18(2)15-21-10-8-12-26-23(21)13-14-27(32(26)5)29-20(4)19(3)16-24-30(29)33-25-11-7-6-9-22(25)17-28(33)31-24;1-16-9-8-12-23-26(16)18(3)14-24(30(23)5)27-19(4)17(2)13-21-28(27)31-22-11-7-6-10-20(22)15-25(31)29-21;1-14(2)18-12-30-25-22(18)26-13-28(4)24(25)20-15(3)16-8-5-6-9-17(16)21-23(20)29-11-7-10-19(29)27-21;2*1-16(2)15-18-7-5-8-21-19(18)11-13-22(27(21)4)24-17(3)10-12-20-25(24)28-14-6-9-23(28)26-20;2*1-14-7-5-8-18-21(14)16(3)13-19(25(18)4)22-15(2)10-11-17-23(22)26-12-6-9-20(26)24-17/h2*6-14,16,18H,15,17H2,1-5H3;6-14H,15H2,1-5H3;5-9,11-14H,10H2,1-4H3;2*5-8,10-14,16H,9,15H2,1-4H3;2*5-8,10-13H,9H2,1-4H3/q8*+1/i3D3,15D2;;;;15D2;;;
InChIKeyRLRILAMWRUZJLK-VYCOEDIBSA-N
MW3106.22 g/mol
LogP44.03
Rot. Bonds18

About 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole)

8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole) (PubChem CID 159710249) has the molecular formula C209H205N25S+8 and a molecular weight of 3106.22 g/mol. Its IUPAC name is 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole).

Molecular Properties

Compound Name8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole)
PubChem CID159710249
Molecular FormulaC209H205N25S+8
Molecular Weight3106.22 g/mol
Exact Mass3103.69
IUPAC Name8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole)
SMILESCc1c(-c2c3scc(C(C)C)c3nc[n+]2C)c2c(nc3n2C=CC3)c2ccccc12.Cc1cc2nc3n(c2c(-c2cc(C)c4c(C)cccc4[n+]2C)c1C)-c1ccccc1C3.Cc1cc2nc3n(c2c(-c2ccc4c(CC(C)C)cccc4[n+]2C)c1C)-c1ccccc1C3.Cc1ccc2nc3n(c2c1-c1cc(C)c2c(C)cccc2[n+]1C)C=CC3.Cc1ccc2nc3n(c2c1-c1cc(C)c2c(C)cccc2[n+]1C)C=CC3.Cc1ccc2nc3n(c2c1-c1ccc2c(CC(C)C)cccc2[n+]1C)C=CC3.[2H]C([2H])([2H])c1cc2nc3n(c2c(-c2ccc4c(C([2H])([2H])C(C)C)cccc4[n+]2C)c1C)-c1ccccc1C3.[2H]C([2H])(c1cccc2c1ccc(-c1c(C)ccc3nc4n(c13)C=CC4)[n+]2C)C(C)C
InChIInChI=1S/2C30H30N3.C28H26N3.C25H23N4S.2C25H26N3.2C23H22N3/c2*1-18(2)15-21-10-8-12-26-23(21)13-14-27(32(26)5)29-20(4)19(3)16-24-30(29)33-25-11-7-6-9-22(25)17-28(33)31-24;1-16-9-8-12-23-26(16)18(3)14-24(30(23)5)27-19(4)17(2)13-21-28(27)31-22-11-7-6-10-20(22)15-25(31)29-21;1-14(2)18-12-30-25-22(18)26-13-28(4)24(25)20-15(3)16-8-5-6-9-17(16)21-23(20)29-11-7-10-19(29)27-21;2*1-16(2)15-18-7-5-8-21-19(18)11-13-22(27(21)4)24-17(3)10-12-20-25(24)28-14-6-9-23(28)26-20;2*1-14-7-5-8-18-21(14)16(3)13-19(25(18)4)22-15(2)10-11-17-23(22)26-12-6-9-20(26)24-17/h2*6-14,16,18H,15,17H2,1-5H3;6-14H,15H2,1-5H3;5-9,11-14H,10H2,1-4H3;2*5-8,10-14,16H,9,15H2,1-4H3;2*5-8,10-13H,9H2,1-4H3/q8*+1/i3D3,15D2;;;;15D2;;;
InChIKeyRLRILAMWRUZJLK-VYCOEDIBSA-N
XLogP44.03
TPSA186.49 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms235
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003106.22
LogP ≤ 544.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole)?
The IUPAC name of 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole) (CID 159710249) is 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole).
What is the SMILES notation for 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole)?
The canonical SMILES for 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole) is Cc1c(-c2c3scc(C(C)C)c3nc[n+]2C)c2c(nc3n2C=CC3)c2ccccc12.Cc1cc2nc3n(c2c(-c2cc(C)c4c(C)cccc4[n+]2C)c1C)-c1ccccc1C3.Cc1cc2nc3n(c2c(-c2ccc4c(CC(C)C)cccc4[n+]2C)c1C)-c1ccccc1C3.Cc1ccc2nc3n(c2c1-c1cc(C)c2c(C)cccc2[n+]1C)C=CC3.Cc1ccc2nc3n(c2c1-c1cc(C)c2c(C)cccc2[n+]1C)C=CC3.Cc1ccc2nc3n(c2c1-c1ccc2c(CC(C)C)cccc2[n+]1C)C=CC3.[2H]C([2H])([2H])c1cc2nc3n(c2c(-c2ccc4c(C([2H])([2H])C(C)C)cccc4[n+]2C)c1C)-c1ccccc1C3.[2H]C([2H])(c1cccc2c1ccc(-c1c(C)ccc3nc4n(c13)C=CC4)[n+]2C)C(C)C.
What is the InChIKey of 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole)?
The InChIKey is RLRILAMWRUZJLK-VYCOEDIBSA-N. The full InChI is InChI=1S/2C30H30N3.C28H26N3.C25H23N4S.2C25H26N3.2C23H22N3/c2*1-18(2)15-21-10-8-12-26-23(21)13-14-27(32(26)5)29-20(4)19(3)16-24-30(29)33-25-11-7-6-9-22(25)17-28(33)31-24;1-16-9-8-12-23-26(16)18(3)14-24(30(23)5)27-19(4)17(2)13-21-28(27)31-22-11-7-6-10-20(22)15-25(31)29-21;1-14(2)18-12-30-25-22(18)26-13-28(4)24(25)20-15(3)16-8-5-6-9-17(16)21-23(20)29-11-7-10-19(29)27-21;2*1-16(2)15-18-7-5-8-21-19(18)11-13-22(27(21)4)24-17(3)10-12-20-25(24)28-14-6-9-23(28)26-20;2*1-14-7-5-8-18-21(14)16(3)13-19(25(18)4)22-15(2)10-11-17-23(22)26-12-6-9-20(26)24-17/h2*6-14,16,18H,15,17H2,1-5H3;6-14H,15H2,1-5H3;5-9,11-14H,10H2,1-4H3;2*5-8,10-14,16H,9,15H2,1-4H3;2*5-8,10-13H,9H2,1-4H3/q8*+1/i3D3,15D2;;;;15D2;;;.
What are the key properties of 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole)?
8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole) has a molecular weight of 3106.22 g/mol, XLogP of 44.03, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-3H-pyrrolo[1,2-a]benzimidazole;6-[5-(1,1-dideuterio-2-methylpropyl)-1-methylquinolin-1-ium-2-yl]-7-methyl-8-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole;7,8-dimethyl-6-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole;3-methyl-4-(8-methyl-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-9-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-3-ium;7-methyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-3H-pyrrolo[1,2-a]benzimidazole;bis(7-methyl-8-(1,4,5-trimethylquinolin-1-ium-2-yl)-3H-pyrrolo[1,2-a]benzimidazole) is sourced from PubChem (CID 159710249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).