3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid

C186H174Cl3N12O23S+5 — CID 161365793

About 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid

3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid (PubChem CID 161365793) has the molecular formula C186H174Cl3N12O23S+5 and a molecular weight of 3083.92 g/mol. Its IUPAC name is 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid
• PubChem CID: 161365793
• Molecular Formula: C186H174Cl3N12O23S+5
• Molecular Weight: 3083.92 g/mol
• Exact Mass: 3080.16
• IUPAC Name: 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid
• SMILES: CC1(C)C(/C=C/C=C/C=C2/Cc3ccccc3N2CCOC=O)=[N+](CCC(=O)O)c2c1c1ccccc1c1ccccc21.CC1(C)C(=CC=CC=Cc2n(CCOC=O)c3ccccc3[n+]2CCC(=O)O)N(CCC(=O)O)c2c1c1ccccc1c1ccccc21.CC1(C)C(=CC=CC=Cc2oc3cc(Cl)ccc3[n+]2CCOC=O)N(CCC(=O)O)c2c1c1ccccc1c1ccccc21.C[n+]1c(C=CC=CC=C2N(CCC(=O)O)c3c(c4ccccc4c4ccccc34)C2(C)C)n(CCOC=O)c2cc(Cl)c(Cl)cc21.Cc1ccc2sc(C=CC=CC=C3N(CCC(=O)O)c4c(c5ccccc5c5ccccc45)C3(C)C)[n+](CCOC=O)c2c1
• InChI: InChI=1S/C39H37N3O6.C37H33Cl2N3O4.C37H34N2O4S.C37H34N2O4.C36H31ClN2O5/c1-39(2)33(42(23-21-36(46)47)38-30-15-9-7-13-28(30)27-12-6-8-14-29(27)37(38)39)18-4-3-5-19-34-40(22-20-35(44)45)31-16-10-11-17-32(31)41(34)24-25-48-26-43;1-37(2)32(15-5-4-6-16-33-40(3)30-21-28(38)29(39)22-31(30)41(33)19-20-46-23-43)42(18-17-34(44)45)36-27-14-10-8-12-25(27)24-11-7-9-13-26(24)35(36)37;1-25-17-18-31-30(23-25)38(21-22-43-24-40)33(44-31)16-6-4-5-15-32-37(2,3)35-28-13-9-7-11-26(28)27-12-8-10-14-29(27)36(35)39(32)20-19-34(41)42;1-37(2)33(19-5-3-4-13-27-24-26-12-6-11-18-32(26)38(27)22-23-43-25-40)39(21-20-34(41)42)36-31-17-10-8-15-29(31)28-14-7-9-16-30(28)35(36)37;1-36(2)31(14-4-3-5-15-32-38(20-21-43-23-40)29-17-16-24(37)22-30(29)44-32)39(19-18-33(41)42)35-28-13-9-7-11-26(28)25-10-6-8-12-27(25)34(35)36/h3-19,26H,20-25H2,1-2H3,(H-,44,45,46,47);4-16,21-23H,17-20H2,1-3H3;4-18,23-24H,19-22H2,1-3H3;3-19,25H,20-24H2,1-2H3;3-17,22-23H,18-21H2,1-2H3/p+5
• InChIKey: VPUHTNMINMGXJT-UHFFFAOYSA-S
• XLogP: 36.94
• TPSA: 413.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 53
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3083.92
LogP ≤ 5	36.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid?

The IUPAC name of 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid (CID 161365793) is 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid.

What is the SMILES notation for 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid?

The canonical SMILES for 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid is CC1(C)C(/C=C/C=C/C=C2/Cc3ccccc3N2CCOC=O)=[N+](CCC(=O)O)c2c1c1ccccc1c1ccccc21.CC1(C)C(=CC=CC=Cc2n(CCOC=O)c3ccccc3[n+]2CCC(=O)O)N(CCC(=O)O)c2c1c1ccccc1c1ccccc21.CC1(C)C(=CC=CC=Cc2oc3cc(Cl)ccc3[n+]2CCOC=O)N(CCC(=O)O)c2c1c1ccccc1c1ccccc21.C[n+]1c(C=CC=CC=C2N(CCC(=O)O)c3c(c4ccccc4c4ccccc34)C2(C)C)n(CCOC=O)c2cc(Cl)c(Cl)cc21.Cc1ccc2sc(C=CC=CC=C3N(CCC(=O)O)c4c(c5ccccc5c5ccccc45)C3(C)C)[n+](CCOC=O)c2c1.

What is the InChIKey of 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid?

The InChIKey is VPUHTNMINMGXJT-UHFFFAOYSA-S. The full InChI is InChI=1S/C39H37N3O6.C37H33Cl2N3O4.C37H34N2O4S.C37H34N2O4.C36H31ClN2O5/c1-39(2)33(42(23-21-36(46)47)38-30-15-9-7-13-28(30)27-12-6-8-14-29(27)37(38)39)18-4-3-5-19-34-40(22-20-35(44)45)31-16-10-11-17-32(31)41(34)24-25-48-26-43;1-37(2)32(15-5-4-6-16-33-40(3)30-21-28(38)29(39)22-31(30)41(33)19-20-46-23-43)42(18-17-34(44)45)36-27-14-10-8-12-25(27)24-11-7-9-13-26(24)35(36)37;1-25-17-18-31-30(23-25)38(21-22-43-24-40)33(44-31)16-6-4-5-15-32-37(2,3)35-28-13-9-7-11-26(28)27-12-8-10-14-29(27)36(35)39(32)20-19-34(41)42;1-37(2)33(19-5-3-4-13-27-24-26-12-6-11-18-32(26)38(27)22-23-43-25-40)39(21-20-34(41)42)36-31-17-10-8-15-29(31)28-14-7-9-16-30(28)35(36)37;1-36(2)31(14-4-3-5-15-32-38(20-21-43-23-40)29-17-16-24(37)22-30(29)44-32)39(19-18-33(41)42)35-28-13-9-7-11-26(28)25-10-6-8-12-27(25)34(35)36/h3-19,26H,20-25H2,1-2H3,(H-,44,45,46,47);4-16,21-23H,17-20H2,1-3H3;4-18,23-24H,19-22H2,1-3H3;3-19,25H,20-24H2,1-2H3;3-17,22-23H,18-21H2,1-2H3/p+5.

What are the key properties of 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid?

3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid has a molecular weight of 3083.92 g/mol, XLogP of 36.94, 53 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-[1-(2-carboxyethyl)-3-(2-formyloxyethyl)benzimidazol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[6-chloro-3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[5-[5,6-dichloro-1-(2-formyloxyethyl)-3-methylbenzimidazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid;3-[2-[(1E,3E,5Z)-5-[1-(2-formyloxyethyl)-3H-indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-ium-1-yl]propanoic acid;3-[2-[5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylphenanthro[9,10-b]pyrrol-1-yl]propanoic acid is sourced from PubChem (CID 161365793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).