3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide

C173H197F18I3N28O9P2S8 — CID 159348763

About 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide

3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide (PubChem CID 159348763) has the molecular formula C173H197F18I3N28O9P2S8 and a molecular weight of 3853.83 g/mol. Its IUPAC name is 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide.

Molecular Properties

• Compound Name: 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide
• PubChem CID: 159348763
• Molecular Formula: C173H197F18I3N28O9P2S8
• Molecular Weight: 3853.83 g/mol
• Exact Mass: 3850.99
• IUPAC Name: 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide
• SMILES: CC1=CC(C)=NC(=Cc2cc(C)nc(C)[n+]2C)N1C.CCCCCCCN1C(=Cc2nc(C)cc(C)[n+]2C)Sc2ccccc21.CCCCCCCN1C(=Cc2ncc(-c3ccccc3)c[n+]2C)Sc2ccccc21.CN1C(=Cc2ncc(-c3ccccc3)c[n+]2C)Sc2ccccc21.Cc1cc(C)[n+](C)c(C=C2Sc3ccccc3N2C)n1.Cc1cc(C)[n+](C)c(C=CC=C2N(C)c3ccccc3C2(C)C)n1.Cc1cc(C)[n+](C)c(C=CC=C2N(C)c3nc4ccccc4nc3N2C)n1.Cc1ccc(Cc2cnc(C=C3Sc4cc(C)ccc4N3C)[n+](C)c2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[I-].[I-].[I-]
• InChI: InChI=1S/C26H30N3S.C23H24N3S.C22H30N3S.C21H23N6.C21H26N3.C20H18N3S.C16H18N3S.C15H21N4.C7H8O3S.2CHF3O3S.2F6P.3HI/c1-3-4-5-6-12-17-29-23-15-10-11-16-24(23)30-26(29)18-25-27-19-22(20-28(25)2)21-13-8-7-9-14-21;1-16-5-8-18(9-6-16)12-19-14-24-22(25(3)15-19)13-23-26(4)20-10-7-17(2)11-21(20)27-23;1-5-6-7-8-11-14-25-19-12-9-10-13-20(19)26-22(25)16-21-23-17(2)15-18(3)24(21)4;1-14-13-15(2)25(3)18(22-14)11-8-12-19-26(4)20-21(27(19)5)24-17-10-7-6-9-16(17)23-20;1-15-14-16(2)23(5)20(22-15)13-9-12-19-21(3,4)17-10-7-8-11-18(17)24(19)6;1-22-14-16(15-8-4-3-5-9-15)13-21-19(22)12-20-23(2)17-10-6-7-11-18(17)24-20;1-11-9-12(2)18(3)15(17-11)10-16-19(4)13-7-5-6-8-14(13)20-16;1-10-7-12(3)18(5)15(17-10)9-14-8-11(2)16-13(4)19(14)6;1-6-2-4-7(5-3-6)11(8,9)10;2*2-1(3,4)8(5,6)7;2*1-7(2,3,4,5)6;;;/h7-11,13-16,18-20H,3-6,12,17H2,1-2H3;5-11,13-15H,12H2,1-4H3;9-10,12-13,15-16H,5-8,11,14H2,1-4H3;6-13H,1-5H3;7-14H,1-6H3;3-14H,1-2H3;5-10H,1-4H3;7-9H,1-6H3;2-5H,1H3,(H,8,9,10);2*(H,5,6,7);;;3*1H/q8*+1;;;;2*-1;;;/p-6
• InChIKey: NSMHRLKNKUGPOC-UHFFFAOYSA-H
• XLogP: 31.35
• TPSA: 373.06 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3853.83
LogP ≤ 5	31.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'dyes3A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide?

The IUPAC name of 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide (CID 159348763) is 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide.

What is the SMILES notation for 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide?

The canonical SMILES for 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide is CC1=CC(C)=NC(=Cc2cc(C)nc(C)[n+]2C)N1C.CCCCCCCN1C(=Cc2nc(C)cc(C)[n+]2C)Sc2ccccc21.CCCCCCCN1C(=Cc2ncc(-c3ccccc3)c[n+]2C)Sc2ccccc21.CN1C(=Cc2ncc(-c3ccccc3)c[n+]2C)Sc2ccccc21.Cc1cc(C)[n+](C)c(C=C2Sc3ccccc3N2C)n1.Cc1cc(C)[n+](C)c(C=CC=C2N(C)c3ccccc3C2(C)C)n1.Cc1cc(C)[n+](C)c(C=CC=C2N(C)c3nc4ccccc4nc3N2C)n1.Cc1ccc(Cc2cnc(C=C3Sc4cc(C)ccc4N3C)[n+](C)c2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[I-].[I-].[I-].

What is the InChIKey of 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide?

The InChIKey is NSMHRLKNKUGPOC-UHFFFAOYSA-H. The full InChI is InChI=1S/C26H30N3S.C23H24N3S.C22H30N3S.C21H23N6.C21H26N3.C20H18N3S.C16H18N3S.C15H21N4.C7H8O3S.2CHF3O3S.2F6P.3HI/c1-3-4-5-6-12-17-29-23-15-10-11-16-24(23)30-26(29)18-25-27-19-22(20-28(25)2)21-13-8-7-9-14-21;1-16-5-8-18(9-6-16)12-19-14-24-22(25(3)15-19)13-23-26(4)20-10-7-17(2)11-21(20)27-23;1-5-6-7-8-11-14-25-19-12-9-10-13-20(19)26-22(25)16-21-23-17(2)15-18(3)24(21)4;1-14-13-15(2)25(3)18(22-14)11-8-12-19-26(4)20-21(27(19)5)24-17-10-7-6-9-16(17)23-20;1-15-14-16(2)23(5)20(22-15)13-9-12-19-21(3,4)17-10-7-8-11-18(17)24(19)6;1-22-14-16(15-8-4-3-5-9-15)13-21-19(22)12-20-23(2)17-10-6-7-11-18(17)24-20;1-11-9-12(2)18(3)15(17-11)10-16-19(4)13-7-5-6-8-14(13)20-16;1-10-7-12(3)18(5)15(17-10)9-14-8-11(2)16-13(4)19(14)6;1-6-2-4-7(5-3-6)11(8,9)10;2*2-1(3,4)8(5,6)7;2*1-7(2,3,4,5)6;;;/h7-11,13-16,18-20H,3-6,12,17H2,1-2H3;5-11,13-15H,12H2,1-4H3;9-10,12-13,15-16H,5-8,11,14H2,1-4H3;6-13H,1-5H3;7-14H,1-6H3;3-14H,1-2H3;5-10H,1-4H3;7-9H,1-6H3;2-5H,1H3,(H,8,9,10);2*(H,5,6,7);;;3*1H/q8*+1;;;;2*-1;;;/p-6.

What are the key properties of 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide?

3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide has a molecular weight of 3853.83 g/mol, XLogP of 31.35, 27 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide is sourced from PubChem (CID 159348763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).