(2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid

C158H142Cl2F3N9O23S+4 — CID 157436928

IUPAC(2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid
SMILESCC1(Cc2ccccc2C(F)(F)F)C(=CC=Cc2sc3c4ccccc4ccc3[n+]2CCC(=O)O)N(CCC(=O)O)c2ccc3ccccc3c21.CCOC(=O)CC1(C)C(=CC=CC2=[N+](CCC(=O)O)c3ccc4ccccc4c3C2(C)CC(C)=O)N(CCOc2ccccc2)c2ccc([N+](=O)[O-])cc21.CN1/C(=C/C=C/C2=[N+](C)c3ccc(Cl)cc3C2(Cc2ccco2)C(=O)O)C(Cc2ccco2)(C(=O)O)c2cc(Cl)ccc21.Cc1ccc(CC2(C)C(=CC=Cc3oc4cc5ccccc5cc4[n+]3CCC(=O)O)N(CCC(=O)O)c3ccc4ccccc4c32)cc1
InChIInChI=1S/C43H43N3O8.C41H33F3N2O4S.C41H36N2O5.C33H26Cl2N2O6/c1-5-53-40(50)28-42(3)34-26-31(46(51)52)19-21-35(34)45(24-25-54-32-13-7-6-8-14-32)37(42)16-11-17-38-43(4,27-29(2)47)41-33-15-10-9-12-30(33)18-20-36(41)44(38)23-22-39(48)49;1-40(25-28-11-4-7-14-31(28)41(42,43)44)34(45(23-21-36(47)48)32-19-17-26-9-2-5-12-29(26)38(32)40)15-8-16-35-46(24-22-37(49)50)33-20-18-27-10-3-6-13-30(27)39(33)51-35;1-27-14-16-28(17-15-27)26-41(2)36(42(22-20-38(44)45)33-19-18-29-8-5-6-11-32(29)40(33)41)12-7-13-37-43(23-21-39(46)47)34-24-30-9-3-4-10-31(30)25-35(34)48-37;1-36-26-12-10-20(34)16-24(26)32(30(38)39,18-22-6-4-14-42-22)28(36)8-3-9-29-33(31(40)41,19-23-7-5-15-43-23)25-17-21(35)11-13-27(25)37(29)2/h6-21,26H,5,22-25,27-28H2,1-4H3;2-20H,21-25H2,1H3,(H-,47,48,49,50);3-19,24-25H,20-23,26H2,1-2H3,(H-,44,45,46,47);3-17H,18-19H2,1-2H3,(H-,38,39,40,41)/p+4
InChIKeyBRFGOWORZQRUEU-UHFFFAOYSA-R
MW2694.88 g/mol
LogP32.02
Rot. Bonds43

About (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid

(2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid (PubChem CID 157436928) has the molecular formula C158H142Cl2F3N9O23S+4 and a molecular weight of 2694.88 g/mol. Its IUPAC name is (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid.

Molecular Properties

Compound Name(2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid
PubChem CID157436928
Molecular FormulaC158H142Cl2F3N9O23S+4
Molecular Weight2694.88 g/mol
Exact Mass2691.92
IUPAC Name(2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid
SMILESCC1(Cc2ccccc2C(F)(F)F)C(=CC=Cc2sc3c4ccccc4ccc3[n+]2CCC(=O)O)N(CCC(=O)O)c2ccc3ccccc3c21.CCOC(=O)CC1(C)C(=CC=CC2=[N+](CCC(=O)O)c3ccc4ccccc4c3C2(C)CC(C)=O)N(CCOc2ccccc2)c2ccc([N+](=O)[O-])cc21.CN1/C(=C/C=C/C2=[N+](C)c3ccc(Cl)cc3C2(Cc2ccco2)C(=O)O)C(Cc2ccco2)(C(=O)O)c2cc(Cl)ccc21.Cc1ccc(CC2(C)C(=CC=Cc3oc4cc5ccccc5cc4[n+]3CCC(=O)O)N(CCC(=O)O)c3ccc4ccccc4c32)cc1
InChIInChI=1S/C43H43N3O8.C41H33F3N2O4S.C41H36N2O5.C33H26Cl2N2O6/c1-5-53-40(50)28-42(3)34-26-31(46(51)52)19-21-35(34)45(24-25-54-32-13-7-6-8-14-32)37(42)16-11-17-38-43(4,27-29(2)47)41-33-15-10-9-12-30(33)18-20-36(41)44(38)23-22-39(48)49;1-40(25-28-11-4-7-14-31(28)41(42,43)44)34(45(23-21-36(47)48)32-19-17-26-9-2-5-12-29(26)38(32)40)15-8-16-35-46(24-22-37(49)50)33-20-18-27-10-3-6-13-30(27)39(33)51-35;1-27-14-16-28(17-15-27)26-41(2)36(42(22-20-38(44)45)33-19-18-29-8-5-6-11-32(29)40(33)41)12-7-13-37-43(23-21-39(46)47)34-24-30-9-3-4-10-31(30)25-35(34)48-37;1-36-26-12-10-20(34)16-24(26)32(30(38)39,18-22-6-4-14-42-22)28(36)8-3-9-29-33(31(40)41,19-23-7-5-15-43-23)25-17-21(35)11-13-27(25)37(29)2/h6-21,26H,5,22-25,27-28H2,1-4H3;2-20H,21-25H2,1H3,(H-,47,48,49,50);3-19,24-25H,20-23,26H2,1-2H3,(H-,44,45,46,47);3-17H,18-19H2,1-2H3,(H-,38,39,40,41)/p+4
InChIKeyBRFGOWORZQRUEU-UHFFFAOYSA-R
XLogP32.02
TPSA423.00 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds43
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002694.88
LogP ≤ 532.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid?
The IUPAC name of (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid (CID 157436928) is (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid.
What is the SMILES notation for (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid?
The canonical SMILES for (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid is CC1(Cc2ccccc2C(F)(F)F)C(=CC=Cc2sc3c4ccccc4ccc3[n+]2CCC(=O)O)N(CCC(=O)O)c2ccc3ccccc3c21.CCOC(=O)CC1(C)C(=CC=CC2=[N+](CCC(=O)O)c3ccc4ccccc4c3C2(C)CC(C)=O)N(CCOc2ccccc2)c2ccc([N+](=O)[O-])cc21.CN1/C(=C/C=C/C2=[N+](C)c3ccc(Cl)cc3C2(Cc2ccco2)C(=O)O)C(Cc2ccco2)(C(=O)O)c2cc(Cl)ccc21.Cc1ccc(CC2(C)C(=CC=Cc3oc4cc5ccccc5cc4[n+]3CCC(=O)O)N(CCC(=O)O)c3ccc4ccccc4c32)cc1.
What is the InChIKey of (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid?
The InChIKey is BRFGOWORZQRUEU-UHFFFAOYSA-R. The full InChI is InChI=1S/C43H43N3O8.C41H33F3N2O4S.C41H36N2O5.C33H26Cl2N2O6/c1-5-53-40(50)28-42(3)34-26-31(46(51)52)19-21-35(34)45(24-25-54-32-13-7-6-8-14-32)37(42)16-11-17-38-43(4,27-29(2)47)41-33-15-10-9-12-30(33)18-20-36(41)44(38)23-22-39(48)49;1-40(25-28-11-4-7-14-31(28)41(42,43)44)34(45(23-21-36(47)48)32-19-17-26-9-2-5-12-29(26)38(32)40)15-8-16-35-46(24-22-37(49)50)33-20-18-27-10-3-6-13-30(27)39(33)51-35;1-27-14-16-28(17-15-27)26-41(2)36(42(22-20-38(44)45)33-19-18-29-8-5-6-11-32(29)40(33)41)12-7-13-37-43(23-21-39(46)47)34-24-30-9-3-4-10-31(30)25-35(34)48-37;1-36-26-12-10-20(34)16-24(26)32(30(38)39,18-22-6-4-14-42-22)28(36)8-3-9-29-33(31(40)41,19-23-7-5-15-43-23)25-17-21(35)11-13-27(25)37(29)2/h6-21,26H,5,22-25,27-28H2,1-4H3;2-20H,21-25H2,1H3,(H-,47,48,49,50);3-19,24-25H,20-23,26H2,1-2H3,(H-,44,45,46,47);3-17H,18-19H2,1-2H3,(H-,38,39,40,41)/p+4.
What are the key properties of (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid?
(2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid has a molecular weight of 2694.88 g/mol, XLogP of 32.02, 43 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-[3-carboxy-5-chloro-3-(furan-2-ylmethyl)-1-methylindol-1-ium-2-yl]prop-2-enylidene]-5-chloro-3-(furan-2-ylmethyl)-1-methylindole-3-carboxylic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[(4-methylphenyl)methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-carboxyethyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]benzo[e]indol-3-yl]propanoic acid;3-[2-[3-[3-(2-ethoxy-2-oxoethyl)-3-methyl-5-nitro-1-(2-phenoxyethyl)indol-2-ylidene]prop-1-enyl]-1-methyl-1-(2-oxopropyl)benzo[e]indol-3-ium-3-yl]propanoic acid is sourced from PubChem (CID 157436928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).