4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide

C144H153Br2I2N15O31S5 — CID 161286910

IUPAC4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide
SMILESCC(=O)Nc1ccc2c(c1)c1cc3c(cc1n2C)oc(C)[n+]3CCCC(=O)O.CCC[n+]1c(C)oc2cc3oc4ccccc4c3cc21.CS(=O)(=O)[O-].Cc1n(C)c2cc3c(cc2[n+]1C)oc1ccccc13.Cc1n(CCOc2ccccc2)c2cc3c4ccccc4n(C)c3cc2[n+]1CCCS(=O)(=O)[O-].Cc1oc2cc3c(cc2[n+]1C)c1ccccc1n3CCCS(=O)(=O)O.Cc1oc2cc3c(cc2[n+]1CCCCCC(=O)O)c1cc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)O)ccc1n3C.Cc1oc2cc3oc4ccccc4c3cc2[n+]1CCCC(=O)O.[Br-].[Br-].[I-].[I-]
InChIInChI=1S/C27H35N3O9S2.C26H27N3O4S.C21H21N3O4.C18H18N2O4S.C18H15NO4.C17H16NO2.C16H15N2O.CH4O3S.2BrH.2HI/c1-19-30(13-5-3-4-8-27(31)32)25-17-22-21-16-20(9-10-23(21)28(2)24(22)18-26(25)39-19)29(11-6-14-40(33,34)35)12-7-15-41(36,37)38;1-19-28(13-8-16-34(30,31)32)26-18-24-22(21-11-6-7-12-23(21)27(24)2)17-25(26)29(19)14-15-33-20-9-4-3-5-10-20;1-12(25)22-14-6-7-17-15(9-14)16-10-19-20(11-18(16)23(17)3)28-13(2)24(19)8-4-5-21(26)27;1-12-19(2)17-10-14-13-6-3-4-7-15(13)20(8-5-9-25(21,22)23)16(14)11-18(17)24-12;1-11-19(8-4-7-18(20)21)14-9-13-12-5-2-3-6-15(12)23-16(13)10-17(14)22-11;1-3-8-18-11(2)19-17-10-16-13(9-14(17)18)12-6-4-5-7-15(12)20-16;1-10-17(2)13-8-12-11-6-4-5-7-15(11)19-16(12)9-14(13)18(10)3;1-5(2,3)4;;;;/h9-10,16-18H,3-8,11-15H2,1-2H3,(H2-,31,32,33,34,35,36,37,38);3-7,9-12,17-18H,8,13-16H2,1-2H3;6-7,9-11H,4-5,8H2,1-3H3,(H-,22,25,26,27);3-4,6-7,10-11H,5,8-9H2,1-2H3;2-3,5-6,9-10H,4,7-8H2,1H3;4-7,9-10H,3,8H2,1-2H3;4-9H,1-3H3;1H3,(H,2,3,4);4*1H/q;;;;;2*+1;;;;;/p-2
InChIKeyUFBDDIBIOJFWNB-UHFFFAOYSA-L
MW3163.83 g/mol
LogP12.20
Rot. Bonds38

About 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide

4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide (PubChem CID 161286910) has the molecular formula C144H153Br2I2N15O31S5 and a molecular weight of 3163.83 g/mol. Its IUPAC name is 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide.

Molecular Properties

Compound Name4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide
PubChem CID161286910
Molecular FormulaC144H153Br2I2N15O31S5
Molecular Weight3163.83 g/mol
Exact Mass3159.59
IUPAC Name4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide
SMILESCC(=O)Nc1ccc2c(c1)c1cc3c(cc1n2C)oc(C)[n+]3CCCC(=O)O.CCC[n+]1c(C)oc2cc3oc4ccccc4c3cc21.CS(=O)(=O)[O-].Cc1n(C)c2cc3c(cc2[n+]1C)oc1ccccc13.Cc1n(CCOc2ccccc2)c2cc3c4ccccc4n(C)c3cc2[n+]1CCCS(=O)(=O)[O-].Cc1oc2cc3c(cc2[n+]1C)c1ccccc1n3CCCS(=O)(=O)O.Cc1oc2cc3c(cc2[n+]1CCCCCC(=O)O)c1cc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)O)ccc1n3C.Cc1oc2cc3oc4ccccc4c3cc2[n+]1CCCC(=O)O.[Br-].[Br-].[I-].[I-]
InChIInChI=1S/C27H35N3O9S2.C26H27N3O4S.C21H21N3O4.C18H18N2O4S.C18H15NO4.C17H16NO2.C16H15N2O.CH4O3S.2BrH.2HI/c1-19-30(13-5-3-4-8-27(31)32)25-17-22-21-16-20(9-10-23(21)28(2)24(22)18-26(25)39-19)29(11-6-14-40(33,34)35)12-7-15-41(36,37)38;1-19-28(13-8-16-34(30,31)32)26-18-24-22(21-11-6-7-12-23(21)27(24)2)17-25(26)29(19)14-15-33-20-9-4-3-5-10-20;1-12(25)22-14-6-7-17-15(9-14)16-10-19-20(11-18(16)23(17)3)28-13(2)24(19)8-4-5-21(26)27;1-12-19(2)17-10-14-13-6-3-4-7-15(13)20(8-5-9-25(21,22)23)16(14)11-18(17)24-12;1-11-19(8-4-7-18(20)21)14-9-13-12-5-2-3-6-15(12)23-16(13)10-17(14)22-11;1-3-8-18-11(2)19-17-10-16-13(9-14(17)18)12-6-4-5-7-15(12)20-16;1-10-17(2)13-8-12-11-6-4-5-7-15(11)19-16(12)9-14(13)18(10)3;1-5(2,3)4;;;;/h9-10,16-18H,3-8,11-15H2,1-2H3,(H2-,31,32,33,34,35,36,37,38);3-7,9-12,17-18H,8,13-16H2,1-2H3;6-7,9-11H,4-5,8H2,1-3H3,(H-,22,25,26,27);3-4,6-7,10-11H,5,8-9H2,1-2H3;2-3,5-6,9-10H,4,7-8H2,1H3;4-7,9-10H,3,8H2,1-2H3;4-9H,1-3H3;1H3,(H,2,3,4);4*1H/q;;;;;2*+1;;;;;/p-2
InChIKeyUFBDDIBIOJFWNB-UHFFFAOYSA-L
XLogP12.20
TPSA595.67 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003163.83
LogP ≤ 512.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide?
The IUPAC name of 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide (CID 161286910) is 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide.
What is the SMILES notation for 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide?
The canonical SMILES for 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide is CC(=O)Nc1ccc2c(c1)c1cc3c(cc1n2C)oc(C)[n+]3CCCC(=O)O.CCC[n+]1c(C)oc2cc3oc4ccccc4c3cc21.CS(=O)(=O)[O-].Cc1n(C)c2cc3c(cc2[n+]1C)oc1ccccc13.Cc1n(CCOc2ccccc2)c2cc3c4ccccc4n(C)c3cc2[n+]1CCCS(=O)(=O)[O-].Cc1oc2cc3c(cc2[n+]1C)c1ccccc1n3CCCS(=O)(=O)O.Cc1oc2cc3c(cc2[n+]1CCCCCC(=O)O)c1cc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)O)ccc1n3C.Cc1oc2cc3oc4ccccc4c3cc2[n+]1CCCC(=O)O.[Br-].[Br-].[I-].[I-].
What is the InChIKey of 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide?
The InChIKey is UFBDDIBIOJFWNB-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H35N3O9S2.C26H27N3O4S.C21H21N3O4.C18H18N2O4S.C18H15NO4.C17H16NO2.C16H15N2O.CH4O3S.2BrH.2HI/c1-19-30(13-5-3-4-8-27(31)32)25-17-22-21-16-20(9-10-23(21)28(2)24(22)18-26(25)39-19)29(11-6-14-40(33,34)35)12-7-15-41(36,37)38;1-19-28(13-8-16-34(30,31)32)26-18-24-22(21-11-6-7-12-23(21)27(24)2)17-25(26)29(19)14-15-33-20-9-4-3-5-10-20;1-12(25)22-14-6-7-17-15(9-14)16-10-19-20(11-18(16)23(17)3)28-13(2)24(19)8-4-5-21(26)27;1-12-19(2)17-10-14-13-6-3-4-7-15(13)20(8-5-9-25(21,22)23)16(14)11-18(17)24-12;1-11-19(8-4-7-18(20)21)14-9-13-12-5-2-3-6-15(12)23-16(13)10-17(14)22-11;1-3-8-18-11(2)19-17-10-16-13(9-14(17)18)12-6-4-5-7-15(12)20-16;1-10-17(2)13-8-12-11-6-4-5-7-15(11)19-16(12)9-14(13)18(10)3;1-5(2,3)4;;;;/h9-10,16-18H,3-8,11-15H2,1-2H3,(H2-,31,32,33,34,35,36,37,38);3-7,9-12,17-18H,8,13-16H2,1-2H3;6-7,9-11H,4-5,8H2,1-3H3,(H-,22,25,26,27);3-4,6-7,10-11H,5,8-9H2,1-2H3;2-3,5-6,9-10H,4,7-8H2,1H3;4-7,9-10H,3,8H2,1-2H3;4-9H,1-3H3;1H3,(H,2,3,4);4*1H/q;;;;;2*+1;;;;;/p-2.
What are the key properties of 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide?
4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide has a molecular weight of 3163.83 g/mol, XLogP of 12.20, 38 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-(2,3-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl)propane-1-sulfonic acid;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate;methanesulfonate;4-(2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium-3-yl)butanoic acid;2-methyl-3-propyl-[1]benzofuro[3,2-f][1,3]benzoxazol-3-ium;1,2,3-trimethyl-[1]benzofuro[2,3-f]benzimidazol-1-ium;dibromide;diiodide is sourced from PubChem (CID 161286910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).