3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide

C345H312Cl2I7N23O42S2 — CID 158328267

About 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide

3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide (PubChem CID 158328267) has the molecular formula C345H312Cl2I7N23O42S2 and a molecular weight of 6475.78 g/mol. Its IUPAC name is 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide.

Molecular Properties

• Compound Name: 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide
• PubChem CID: 158328267
• Molecular Formula: C345H312Cl2I7N23O42S2
• Molecular Weight: 6475.78 g/mol
• Exact Mass: 6470.51
• IUPAC Name: 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide
• SMILES: CC(=O)c1ccc(CC2(Cc3ccc(C(C)=O)cc3)C(/C=C/C(C#N)=C/C=C3/N(CCOC=O)c4ccccc4C3(Cc3ccc(C(C)=O)cc3)Cc3ccc(C(C)=O)cc3)=[N+](CCC(=O)O)c3ccccc32)cc1.CC1(Cc2ccccc2)C(=CC=C(C#N)C=Cc2oc3ccccc3[n+]2CCOC=O)N(CCC(=O)O)c2cc3ccccc3cc21.CC1(Cc2ccccc2[N+](=O)[O-])C(=CC=C(C#N)C=CC2=[N+](CCOC=O)CCS2)N(CCC(=O)O)c2ccc(OC=O)cc21.CCOC(=O)c1ccc(CC2(C)C(=CC=C(C#N)C=CC3=[N+](CCOC=O)c4ccccc4C3(C)Cc3ccc(C(=O)OCC)cc3)N(CCC(=O)O)c3cc(Cl)c(Cl)cc32)cc1.Cc1ccc2c(c1)C(Cc1ccccc1)(Cc1ccccc1)C(=CC=C(C#N)C=Cc1sc3ccc(C)cc3[n+]1CCOC=O)N2CCC(=O)O.Cc1ccc2ccc3c(c2c1)C(C)(Cc1ccc(O)cc1)C(C=CC(C#N)=CC=C1N(CCC(=O)O)c2ccccc2C1(Cc1ccc2ccccc2c1)Cc1ccccc1C)=[N+]3CCOC=O.[C-]#[N+]c1ccc(CC2(C)/C(=C\C=C(C#N)\C=C\C3=[N+](CCC(=O)O)c4c(ccc5ccccc45)C3(C)Cc3cccc4ccccc34)N(CCOC=O)c3ccc4ccccc4c32)cc1.[I-].[I-].[I-].[I-].[I-].[I-].[I-]
• InChI: InChI=1S/C64H57N3O8.C60H53N3O5.C57H46N4O4.C50H47Cl2N3O8.C43H39N3O4S.C39H33N3O5.C32H30N4O8S.7HI/c1-43(69)52-23-13-47(14-24-52)37-63(38-48-15-25-53(26-16-48)44(2)70)56-9-5-7-11-58(56)66(34-33-62(73)74)60(63)31-21-51(41-65)22-32-61-64(39-49-17-27-54(28-18-49)45(3)71,40-50-19-29-55(30-20-50)46(4)72)57-10-6-8-12-59(57)67(61)35-36-75-42-68;1-41-16-22-47-24-27-54-58(51(47)34-41)59(3,36-43-18-25-50(65)26-19-43)55(63(54)32-33-68-40-64)28-20-44(39-61)21-29-56-60(38-49-13-5-4-10-42(49)2,37-45-17-23-46-11-6-7-12-48(46)35-45)52-14-8-9-15-53(52)62(56)31-30-57(66)67;1-56(36-44-15-10-14-41-11-4-7-16-46(41)44)49-27-23-43-13-6-9-18-48(43)55(49)61(32-31-53(63)64)51(56)29-21-40(37-58)22-30-52-57(2,35-39-19-25-45(59-3)26-20-39)54-47-17-8-5-12-42(47)24-28-50(54)60(52)33-34-65-38-62;1-5-62-47(59)36-17-11-33(12-18-36)29-49(3)38-9-7-8-10-42(38)55(25-26-61-32-56)44(49)21-15-35(31-53)16-22-45-50(4,30-34-13-19-37(20-14-34)48(60)63-6-2)39-27-40(51)41(52)28-43(39)54(45)24-23-46(57)58;1-31-13-17-37-36(25-31)43(27-33-9-5-3-6-10-33,28-34-11-7-4-8-12-34)40(45(37)22-21-42(48)49)19-15-35(29-44)16-20-41-46(23-24-50-30-47)38-26-32(2)14-18-39(38)51-41;1-39(25-28-9-3-2-4-10-28)32-23-30-11-5-6-12-31(30)24-34(32)41(20-19-38(44)45)36(39)17-15-29(26-40)16-18-37-42(21-22-46-27-43)33-13-7-8-14-35(33)47-37;1-32(19-24-4-2-3-5-27(24)36(41)42)26-18-25(44-22-38)8-9-28(26)35(13-12-31(39)40)29(32)10-6-23(20-33)7-11-30-34(15-17-45-30)14-16-43-21-37;;;;;;;/h5-32,42H,33-40H2,1-4H3;4-29,34-35,40H,30-33,36-38H2,1-3H3,(H-,65,66,67);4-30,38H,31-36H2,1-2H3;7-22,27-28,32H,5-6,23-26,29-30H2,1-4H3;3-20,25-26,30H,21-24,27-28H2,1-2H3;2-18,23-24,27H,19-22,25H2,1H3;2-11,18,21-22H,12-17,19H2,1H3;7*1H
• InChIKey: FGYCEDPVRCUCQL-UHFFFAOYSA-N
• XLogP: 42.26
• TPSA: 885.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 51
• Rotatable Bonds: 111
• Heavy Atoms: 421
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	6475.78
LogP ≤ 5	42.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide?

The IUPAC name of 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide (CID 158328267) is 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide.

What is the SMILES notation for 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide?

The canonical SMILES for 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide is CC(=O)c1ccc(CC2(Cc3ccc(C(C)=O)cc3)C(/C=C/C(C#N)=C/C=C3/N(CCOC=O)c4ccccc4C3(Cc3ccc(C(C)=O)cc3)Cc3ccc(C(C)=O)cc3)=[N+](CCC(=O)O)c3ccccc32)cc1.CC1(Cc2ccccc2)C(=CC=C(C#N)C=Cc2oc3ccccc3[n+]2CCOC=O)N(CCC(=O)O)c2cc3ccccc3cc21.CC1(Cc2ccccc2[N+](=O)[O-])C(=CC=C(C#N)C=CC2=[N+](CCOC=O)CCS2)N(CCC(=O)O)c2ccc(OC=O)cc21.CCOC(=O)c1ccc(CC2(C)C(=CC=C(C#N)C=CC3=[N+](CCOC=O)c4ccccc4C3(C)Cc3ccc(C(=O)OCC)cc3)N(CCC(=O)O)c3cc(Cl)c(Cl)cc32)cc1.Cc1ccc2c(c1)C(Cc1ccccc1)(Cc1ccccc1)C(=CC=C(C#N)C=Cc1sc3ccc(C)cc3[n+]1CCOC=O)N2CCC(=O)O.Cc1ccc2ccc3c(c2c1)C(C)(Cc1ccc(O)cc1)C(C=CC(C#N)=CC=C1N(CCC(=O)O)c2ccccc2C1(Cc1ccc2ccccc2c1)Cc1ccccc1C)=[N+]3CCOC=O.[C-]#[N+]c1ccc(CC2(C)/C(=C\C=C(C#N)\C=C\C3=[N+](CCC(=O)O)c4c(ccc5ccccc45)C3(C)Cc3cccc4ccccc34)N(CCOC=O)c3ccc4ccccc4c32)cc1.[I-].[I-].[I-].[I-].[I-].[I-].[I-].

What is the InChIKey of 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide?

The InChIKey is FGYCEDPVRCUCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H57N3O8.C60H53N3O5.C57H46N4O4.C50H47Cl2N3O8.C43H39N3O4S.C39H33N3O5.C32H30N4O8S.7HI/c1-43(69)52-23-13-47(14-24-52)37-63(38-48-15-25-53(26-16-48)44(2)70)56-9-5-7-11-58(56)66(34-33-62(73)74)60(63)31-21-51(41-65)22-32-61-64(39-49-17-27-54(28-18-49)45(3)71,40-50-19-29-55(30-20-50)46(4)72)57-10-6-8-12-59(57)67(61)35-36-75-42-68;1-41-16-22-47-24-27-54-58(51(47)34-41)59(3,36-43-18-25-50(65)26-19-43)55(63(54)32-33-68-40-64)28-20-44(39-61)21-29-56-60(38-49-13-5-4-10-42(49)2,37-45-17-23-46-11-6-7-12-48(46)35-45)52-14-8-9-15-53(52)62(56)31-30-57(66)67;1-56(36-44-15-10-14-41-11-4-7-16-46(41)44)49-27-23-43-13-6-9-18-48(43)55(49)61(32-31-53(63)64)51(56)29-21-40(37-58)22-30-52-57(2,35-39-19-25-45(59-3)26-20-39)54-47-17-8-5-12-42(47)24-28-50(54)60(52)33-34-65-38-62;1-5-62-47(59)36-17-11-33(12-18-36)29-49(3)38-9-7-8-10-42(38)55(25-26-61-32-56)44(49)21-15-35(31-53)16-22-45-50(4,30-34-13-19-37(20-14-34)48(60)63-6-2)39-27-40(51)41(52)28-43(39)54(45)24-23-46(57)58;1-31-13-17-37-36(25-31)43(27-33-9-5-3-6-10-33,28-34-11-7-4-8-12-34)40(45(37)22-21-42(48)49)19-15-35(29-44)16-20-41-46(23-24-50-30-47)38-26-32(2)14-18-39(38)51-41;1-39(25-28-9-3-2-4-10-28)32-23-30-11-5-6-12-31(30)24-34(32)41(20-19-38(44)45)36(39)17-15-29(26-40)16-18-37-42(21-22-46-27-43)33-13-7-8-14-35(33)47-37;1-32(19-24-4-2-3-5-27(24)36(41)42)26-18-25(44-22-38)8-9-28(26)35(13-12-31(39)40)29(32)10-6-23(20-33)7-11-30-34(15-17-45-30)14-16-43-21-37;;;;;;;/h5-32,42H,33-40H2,1-4H3;4-29,34-35,40H,30-33,36-38H2,1-3H3,(H-,65,66,67);4-30,38H,31-36H2,1-2H3;7-22,27-28,32H,5-6,23-26,29-30H2,1-4H3;3-20,25-26,30H,21-24,27-28H2,1-2H3;2-18,23-24,27H,19-22,25H2,1H3;2-11,18,21-22H,12-17,19H2,1H3;7*1H.

What are the key properties of 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide?

3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide has a molecular weight of 6475.78 g/mol, XLogP of 42.26, 111 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-benzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-1,3-benzoxazol-3-ium-2-yl]penta-2,4-dienylidene]-3-methylbenzo[f]indol-1-yl]propanoic acid;3-[3,3-bis[(4-acetylphenyl)methyl]-2-[(1E,3Z,5E)-5-[3,3-bis[(4-acetylphenyl)methyl]-1-(2-formyloxyethyl)indol-2-ylidene]-3-cyanopenta-1,3-dienyl]indol-1-ium-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-formyloxy-3-methyl-3-[(2-nitrophenyl)methyl]indol-1-yl]propanoic acid;3-[2-[3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,8-dimethylbenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[(2-methylphenyl)methyl]-3-(naphthalen-2-ylmethyl)indol-1-yl]propanoic acid;3-[2-[(1E,3Z,5E)-3-cyano-5-[3-(2-formyloxyethyl)-1-[(4-isocyanophenyl)methyl]-1-methylbenzo[e]indol-2-ylidene]penta-1,3-dienyl]-3-methyl-3-(naphthalen-1-ylmethyl)benzo[g]indol-1-ium-1-yl]propanoic acid;3-[3,3-dibenzyl-2-[3-cyano-5-[3-(2-formyloxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-methylindol-1-yl]propanoic acid;3-[5,6-dichloro-2-[3-cyano-5-[3-[(4-ethoxycarbonylphenyl)methyl]-1-(2-formyloxyethyl)-3-methylindol-1-ium-2-yl]penta-2,4-dienylidene]-3-[(4-ethoxycarbonylphenyl)methyl]-3-methylindol-1-yl]propanoic acid;heptaiodide is sourced from PubChem (CID 158328267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).