2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium

C80H77N11O6+8 — CID 158326763

IUPAC2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium
SMILESCc1ccc2c(n1)oc1c(-c3cccc(-c4occ[n+]4C)[n+]3C)c(C)ccc12.Cc1ccc2c(oc3ccccc32)c1-c1cccc(-c2occ[n+]2C)[n+]1C.Cn1c(-c2cccc(-c3occ[n+]3C)[n+]2C)cc2ccccc21.Cn1cccc1-c1cccc(-c2occ[n+]2C)[n+]1C
InChIInChI=1S/C23H21N3O2.C23H20N2O2.C19H19N3O.C15H17N3O/c1-14-8-10-16-17-11-9-15(2)24-22(17)28-21(16)20(14)18-6-5-7-19(26(18)4)23-25(3)12-13-27-23;1-15-11-12-17-16-7-4-5-10-20(16)27-22(17)21(15)18-8-6-9-19(25(18)3)23-24(2)13-14-26-23;1-20-11-12-23-19(20)17-10-6-9-16(22(17)3)18-13-14-7-4-5-8-15(14)21(18)2;1-16-9-5-8-12(16)13-6-4-7-14(18(13)3)15-17(2)10-11-19-15/h5-13H,1-4H3;4-14H,1-3H3;4-13H,1-3H3;4-11H,1-3H3/q4*+2
InChIKeyRUKRXLRAYFZRPR-UHFFFAOYSA-N
MW1288.57 g/mol
LogP13.00
Rot. Bonds8

About 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium

2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium (PubChem CID 158326763) has the molecular formula C80H77N11O6+8 and a molecular weight of 1288.57 g/mol. Its IUPAC name is 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium.

Molecular Properties

Compound Name2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium
PubChem CID158326763
Molecular FormulaC80H77N11O6+8
Molecular Weight1288.57 g/mol
Exact Mass1287.60
IUPAC Name2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium
SMILESCc1ccc2c(n1)oc1c(-c3cccc(-c4occ[n+]4C)[n+]3C)c(C)ccc12.Cc1ccc2c(oc3ccccc32)c1-c1cccc(-c2occ[n+]2C)[n+]1C.Cn1c(-c2cccc(-c3occ[n+]3C)[n+]2C)cc2ccccc21.Cn1cccc1-c1cccc(-c2occ[n+]2C)[n+]1C
InChIInChI=1S/C23H21N3O2.C23H20N2O2.C19H19N3O.C15H17N3O/c1-14-8-10-16-17-11-9-15(2)24-22(17)28-21(16)20(14)18-6-5-7-19(26(18)4)23-25(3)12-13-27-23;1-15-11-12-17-16-7-4-5-10-20(16)27-22(17)21(15)18-8-6-9-19(25(18)3)23-24(2)13-14-26-23;1-20-11-12-23-19(20)17-10-6-9-16(22(17)3)18-13-14-7-4-5-8-15(14)21(18)2;1-16-9-5-8-12(16)13-6-4-7-14(18(13)3)15-17(2)10-11-19-15/h5-13H,1-4H3;4-14H,1-3H3;4-13H,1-3H3;4-11H,1-3H3/q4*+2
InChIKeyRUKRXLRAYFZRPR-UHFFFAOYSA-N
XLogP13.00
TPSA132.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001288.57
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium with MolForge

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Related Compounds

8-[2-[2-[3-Methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-4-[4-[8-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-4-[4-[8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-4-[4-[8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 157196051
2-[3-[4-[2-[4-[3-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 157737893
1-benzofuran-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;[5-(1,1-difluoroethyl)furan-2-yl]-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3,5-dimethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(5-ethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;5-[1-(1H-indol-3-yl)ethenyl]-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(5-methylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 158064950
2-[4-[3-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 158383395
2-[4-[3-[2-[3-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 158435449
4-[3,5-Bis[6-[3-methyl-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[5-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 158818009
2-[3-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4-methyl-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazole
CID 159770820
8-[4-(1,1,2,2,3,3,4,4,5,5-Decafluorospiro[5.5]undecan-9-yl)-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[4-[(4,4-dimethylcyclohexyl)methyl]-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[4-(4,4-dimethylcyclohexyl)-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-4-spiro[5.5]undecan-3-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 160150344
4-[4-[8-[3,5-Bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,5-dimethylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[4-[8-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-4-[4-[8-[2-(3,4,5-trifluorophenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[4-(3,4,5-trifluorophenyl)-2-pyridinyl]-4-[4-[8-[4-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 160428236
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzoxazol-3-ium
CID 160892993
CID 161574867
CID 161574867
8-[2-[5-[3-Methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-4-[4-[8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-4-[4-[8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[4-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[4-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 161637768

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium?
The IUPAC name of 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium (CID 158326763) is 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium.
What is the SMILES notation for 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium?
The canonical SMILES for 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium is Cc1ccc2c(n1)oc1c(-c3cccc(-c4occ[n+]4C)[n+]3C)c(C)ccc12.Cc1ccc2c(oc3ccccc32)c1-c1cccc(-c2occ[n+]2C)[n+]1C.Cn1c(-c2cccc(-c3occ[n+]3C)[n+]2C)cc2ccccc21.Cn1cccc1-c1cccc(-c2occ[n+]2C)[n+]1C.
What is the InChIKey of 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium?
The InChIKey is RUKRXLRAYFZRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2.C23H20N2O2.C19H19N3O.C15H17N3O/c1-14-8-10-16-17-11-9-15(2)24-22(17)28-21(16)20(14)18-6-5-7-19(26(18)4)23-25(3)12-13-27-23;1-15-11-12-17-16-7-4-5-10-20(16)27-22(17)21(15)18-8-6-9-19(25(18)3)23-24(2)13-14-26-23;1-20-11-12-23-19(20)17-10-6-9-16(22(17)3)18-13-14-7-4-5-8-15(14)21(18)2;1-16-9-5-8-12(16)13-6-4-7-14(18(13)3)15-17(2)10-11-19-15/h5-13H,1-4H3;4-14H,1-3H3;4-13H,1-3H3;4-11H,1-3H3/q4*+2.
What are the key properties of 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium?
2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium has a molecular weight of 1288.57 g/mol, XLogP of 13.00, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-8-[1-methyl-6-(3-methyl-1,3-oxazol-3-ium-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;3-methyl-2-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylindol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium;3-methyl-2-[1-methyl-6-(1-methylpyrrol-2-yl)pyridin-1-ium-2-yl]-1,3-oxazol-3-ium is sourced from PubChem (CID 158326763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).