bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide

C159H173Br2Cl2I3N10O8S4-2 — CID 160734338

IUPACbromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide
SMILESCC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCC[N-]Br)c4ccccc4C3(C)C)CCC2)=[N+](CCC[N-]Br)c2ccccc21.CCCCCc1ccc2c(-c3ccccc3S(=O)(=O)O)c3cc/c(=N\CCCC)cc-3oc2c1.CCCc1cc2oc3c/c(=[NH+]\CC)c(-c4ccccc4)cc-3c(-c3ccccc3S(=O)(=O)O)c2cc1-c1ccccc1.CCN1/C(=C/C=C/C=C/C=C/C2=[N+](CC)c3ccccc3C23CCCCC3)C2(CCCCC2)c2ccccc21.CCN1/C(=C\C=C\c2sc3ccccc3[n+]2CC)Sc2ccccc21.[Cl-].[I-].[I-].[I-]
InChIInChI=1S/C37H44Br2ClN4.C37H45N2.C36H31NO4S.C28H31NO4S.C21H21N2S2.ClH.3HI/c1-36(2)29-15-5-7-17-31(29)43(25-10-9-23-41-38)33(36)21-19-27-13-11-14-28(35(27)40)20-22-34-37(3,4)30-16-6-8-18-32(30)44(34)26-12-24-42-39;1-3-38-32-22-14-12-20-30(32)36(26-16-8-17-27-36)34(38)24-10-6-5-7-11-25-35-37(28-18-9-19-29-37)31-21-13-15-23-33(31)39(35)4-2;1-3-13-26-20-33-30(21-28(26)24-14-7-5-8-15-24)36(27-18-11-12-19-35(27)42(38,39)40)31-22-29(25-16-9-6-10-17-25)32(37-4-2)23-34(31)41-33;1-3-5-7-10-20-13-15-22-25(18-20)33-26-19-21(29-17-6-4-2)14-16-23(26)28(22)24-11-8-9-12-27(24)34(30,31)32;1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;;;;/h5-8,15-22H,9-14,23-26H2,1-4H3;5-7,10-15,20-25H,3-4,8-9,16-19,26-29H2,1-2H3;5-12,14-23H,3-4,13H2,1-2H3,(H,38,39,40);8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,30,31,32);5-15H,3-4H2,1-2H3;4*1H/q-1;+1;;;+1;;;;/p-3/b;;37-32+;29-21+;;;;;
InChIKeyYIOONKLPWBQVCY-PHVPDGSUSA-K
MW3091.89 g/mol
LogP28.08
Rot. Bonds38

About bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide

bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide (PubChem CID 160734338) has the molecular formula C159H173Br2Cl2I3N10O8S4-2 and a molecular weight of 3091.89 g/mol. Its IUPAC name is bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide.

Molecular Properties

Compound Namebromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide
PubChem CID160734338
Molecular FormulaC159H173Br2Cl2I3N10O8S4-2
Molecular Weight3091.89 g/mol
Exact Mass3086.72
IUPAC Namebromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide
SMILESCC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCC[N-]Br)c4ccccc4C3(C)C)CCC2)=[N+](CCC[N-]Br)c2ccccc21.CCCCCc1ccc2c(-c3ccccc3S(=O)(=O)O)c3cc/c(=N\CCCC)cc-3oc2c1.CCCc1cc2oc3c/c(=[NH+]\CC)c(-c4ccccc4)cc-3c(-c3ccccc3S(=O)(=O)O)c2cc1-c1ccccc1.CCN1/C(=C/C=C/C=C/C=C/C2=[N+](CC)c3ccccc3C23CCCCC3)C2(CCCCC2)c2ccccc21.CCN1/C(=C\C=C\c2sc3ccccc3[n+]2CC)Sc2ccccc21.[Cl-].[I-].[I-].[I-]
InChIInChI=1S/C37H44Br2ClN4.C37H45N2.C36H31NO4S.C28H31NO4S.C21H21N2S2.ClH.3HI/c1-36(2)29-15-5-7-17-31(29)43(25-10-9-23-41-38)33(36)21-19-27-13-11-14-28(35(27)40)20-22-34-37(3,4)30-16-6-8-18-32(30)44(34)26-12-24-42-39;1-3-38-32-22-14-12-20-30(32)36(26-16-8-17-27-36)34(38)24-10-6-5-7-11-25-35-37(28-18-9-19-29-37)31-21-13-15-23-33(31)39(35)4-2;1-3-13-26-20-33-30(21-28(26)24-14-7-5-8-15-24)36(27-18-11-12-19-35(27)42(38,39)40)31-22-29(25-16-9-6-10-17-25)32(37-4-2)23-34(31)41-33;1-3-5-7-10-20-13-15-22-25(18-20)33-26-19-21(29-17-6-4-2)14-16-23(26)28(22)24-11-8-9-12-27(24)34(30,31)32;1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;;;;/h5-8,15-22H,9-14,23-26H2,1-4H3;5-7,10-15,20-25H,3-4,8-9,16-19,26-29H2,1-2H3;5-12,14-23H,3-4,13H2,1-2H3,(H,38,39,40);8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,30,31,32);5-15H,3-4H2,1-2H3;4*1H/q-1;+1;;;+1;;;;/p-3/b;;37-32+;29-21+;;;;;
InChIKeyYIOONKLPWBQVCY-PHVPDGSUSA-K
XLogP28.08
TPSA209.17 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds38
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003091.89
LogP ≤ 528.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide?
The IUPAC name of bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide (CID 160734338) is bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide.
What is the SMILES notation for bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide?
The canonical SMILES for bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide is CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCC[N-]Br)c4ccccc4C3(C)C)CCC2)=[N+](CCC[N-]Br)c2ccccc21.CCCCCc1ccc2c(-c3ccccc3S(=O)(=O)O)c3cc/c(=N\CCCC)cc-3oc2c1.CCCc1cc2oc3c/c(=[NH+]\CC)c(-c4ccccc4)cc-3c(-c3ccccc3S(=O)(=O)O)c2cc1-c1ccccc1.CCN1/C(=C/C=C/C=C/C=C/C2=[N+](CC)c3ccccc3C23CCCCC3)C2(CCCCC2)c2ccccc21.CCN1/C(=C\C=C\c2sc3ccccc3[n+]2CC)Sc2ccccc21.[Cl-].[I-].[I-].[I-].
What is the InChIKey of bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide?
The InChIKey is YIOONKLPWBQVCY-PHVPDGSUSA-K. The full InChI is InChI=1S/C37H44Br2ClN4.C37H45N2.C36H31NO4S.C28H31NO4S.C21H21N2S2.ClH.3HI/c1-36(2)29-15-5-7-17-31(29)43(25-10-9-23-41-38)33(36)21-19-27-13-11-14-28(35(27)40)20-22-34-37(3,4)30-16-6-8-18-32(30)44(34)26-12-24-42-39;1-3-38-32-22-14-12-20-30(32)36(26-16-8-17-27-36)34(38)24-10-6-5-7-11-25-35-37(28-18-9-19-29-37)31-21-13-15-23-33(31)39(35)4-2;1-3-13-26-20-33-30(21-28(26)24-14-7-5-8-15-24)36(27-18-11-12-19-35(27)42(38,39)40)31-22-29(25-16-9-6-10-17-25)32(37-4-2)23-34(31)41-33;1-3-5-7-10-20-13-15-22-25(18-20)33-26-19-21(29-17-6-4-2)14-16-23(26)28(22)24-11-8-9-12-27(24)34(30,31)32;1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;;;;/h5-8,15-22H,9-14,23-26H2,1-4H3;5-7,10-15,20-25H,3-4,8-9,16-19,26-29H2,1-2H3;5-12,14-23H,3-4,13H2,1-2H3,(H,38,39,40);8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,30,31,32);5-15H,3-4H2,1-2H3;4*1H/q-1;+1;;;+1;;;;/p-3/b;;37-32+;29-21+;;;;;.
What are the key properties of bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide?
bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide has a molecular weight of 3091.89 g/mol, XLogP of 28.08, 38 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[3-[2-[(E)-2-[(3E)-3-[(2E)-2-[1-(4-bromoazanidylbutyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]azanide;2-(3-butylimino-6-pentylxanthen-9-yl)benzenesulfonic acid;[2,7-diphenyl-6-propyl-9-(2-sulfophenyl)xanthen-3-ylidene]-ethylazanium;(2E)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;1'-ethyl-2'-[(1E,3E,5E,7E)-7-(1'-ethylspiro[cyclohexane-1,3'-indole]-2'-ylidene)hepta-1,3,5-trienyl]spiro[cyclohexane-1,3'-indol-1-ium];chloride;triiodide is sourced from PubChem (CID 160734338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).