4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium

C194H215Cl3N11O21S13+ — CID 157464078

About 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium

4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium (PubChem CID 157464078) has the molecular formula C194H215Cl3N11O21S13+ and a molecular weight of 3560.14 g/mol. Its IUPAC name is 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium.

Molecular Properties

• Compound Name: 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium
• PubChem CID: 157464078
• Molecular Formula: C194H215Cl3N11O21S13+
• Molecular Weight: 3560.14 g/mol
• Exact Mass: 3555.15
• IUPAC Name: 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium
• SMILES: C.CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)O)c4ccc5ccccc5c4C3(C)C)=C2Cl)N(CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21.CCN1/C(=C/C=C2/C=C(/C=C/c3sc4ccccc4[n+]3CC)CC(C)(S(=O)(=O)[O-])C2)Sc2ccccc21.CCN1/C(=C/C=C2/C=C(/C=C/c3sc4ccccc4[n+]3CC)CC(OS(=O)[O-])(S(=O)(=O)[O-])C2)Sc2ccccc21.CCN1/C(=C/C=C2\CC(C)(C)CC(/C=C/c3sc4ccccc4[n+]3CC)=C2Cl)Sc2ccccc21.CC[NH+](CC)CC.C[N+]1=C(/C=C/C2=C(Cl)/C(=C/C=C3/[NH+](C)c4ccc5ccccc5c4C3(C)C)CCC2)C(C)(C)c2c1ccc1ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1
• InChI: InChI=1S/C46H51ClN2O6S2.C40H40ClN2.C30H32ClN2S2.C29H30N2O3S3.C28H28N2O6S4.2C7H8O3S.C6H15N.CH4/c1-45(2)40(48(28-9-11-30-56(50,51)52)38-24-20-32-14-5-7-18-36(32)42(38)45)26-22-34-16-13-17-35(44(34)47)23-27-41-46(3,4)43-37-19-8-6-15-33(37)21-25-39(43)49(41)29-10-12-31-57(53,54)55;1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;1-5-32-23-11-7-9-13-25(23)34-27(32)17-15-21-19-30(3,4)20-22(29(21)31)16-18-28-33(6-2)24-12-8-10-14-26(24)35-28;1-4-30-23-10-6-8-12-25(23)35-27(30)16-14-21-18-22(20-29(3,19-21)37(32,33)34)15-17-28-31(5-2)24-11-7-9-13-26(24)36-28;1-3-29-22-9-5-7-11-24(22)37-26(29)15-13-20-17-21(19-28(18-20,36-39(31)32)40(33,34)35)14-16-27-30(4-2)23-10-6-8-12-25(23)38-27;2*1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3;/h5-8,14-15,18-27H,9-13,16-17,28-31H2,1-4H3,(H-,50,51,52,53,54,55);7-10,12-13,16-25H,11,14-15H2,1-6H3;7-18H,5-6,19-20H2,1-4H3;6-18H,4-5,19-20H2,1-3H3;5-17H,3-4,18-19H2,1-2H3,(H-,31,32,33,34,35);2*2-5H,1H3,(H,8,9,10);4-6H2,1-3H3;1H4/q;2*+1;;;;;;/p-1
• InChIKey: RMHDAJGNPDKWAR-UHFFFAOYSA-M
• XLogP: 42.72
• TPSA: 429.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3560.14
LogP ≤ 5	42.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium?

The IUPAC name of 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium (CID 157464078) is 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium.

What is the SMILES notation for 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium?

The canonical SMILES for 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium is C.CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)O)c4ccc5ccccc5c4C3(C)C)=C2Cl)N(CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21.CCN1/C(=C/C=C2/C=C(/C=C/c3sc4ccccc4[n+]3CC)CC(C)(S(=O)(=O)[O-])C2)Sc2ccccc21.CCN1/C(=C/C=C2/C=C(/C=C/c3sc4ccccc4[n+]3CC)CC(OS(=O)[O-])(S(=O)(=O)[O-])C2)Sc2ccccc21.CCN1/C(=C/C=C2\CC(C)(C)CC(/C=C/c3sc4ccccc4[n+]3CC)=C2Cl)Sc2ccccc21.CC[NH+](CC)CC.C[N+]1=C(/C=C/C2=C(Cl)/C(=C/C=C3/[NH+](C)c4ccc5ccccc5c4C3(C)C)CCC2)C(C)(C)c2c1ccc1ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.

What is the InChIKey of 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium?

The InChIKey is RMHDAJGNPDKWAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C46H51ClN2O6S2.C40H40ClN2.C30H32ClN2S2.C29H30N2O3S3.C28H28N2O6S4.2C7H8O3S.C6H15N.CH4/c1-45(2)40(48(28-9-11-30-56(50,51)52)38-24-20-32-14-5-7-18-36(32)42(38)45)26-22-34-16-13-17-35(44(34)47)23-27-41-46(3,4)43-37-19-8-6-15-33(37)21-25-39(43)49(41)29-10-12-31-57(53,54)55;1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;1-5-32-23-11-7-9-13-25(23)34-27(32)17-15-21-19-30(3,4)20-22(29(21)31)16-18-28-33(6-2)24-12-8-10-14-26(24)35-28;1-4-30-23-10-6-8-12-25(23)35-27(30)16-14-21-18-22(20-29(3,19-21)37(32,33)34)15-17-28-31(5-2)24-11-7-9-13-26(24)36-28;1-3-29-22-9-5-7-11-24(22)37-26(29)15-13-20-17-21(19-28(18-20,36-39(31)32)40(33,34)35)14-16-27-30(4-2)23-10-6-8-12-25(23)38-27;2*1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3;/h5-8,14-15,18-27H,9-13,16-17,28-31H2,1-4H3,(H-,50,51,52,53,54,55);7-10,12-13,16-25H,11,14-15H2,1-6H3;7-18H,5-6,19-20H2,1-4H3;6-18H,4-5,19-20H2,1-3H3;5-17H,3-4,18-19H2,1-2H3,(H-,31,32,33,34,35);2*2-5H,1H3,(H,8,9,10);4-6H2,1-3H3;1H4/q;2*+1;;;;;;/p-1.

What are the key properties of 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium?

4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium has a molecular weight of 3560.14 g/mol, XLogP of 42.72, 40 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-chloro-3-[2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,1,3-trimethyl-3H-benzo[e]indol-3-ium-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-methylcyclohex-3-ene-1-sulfonate;(5E)-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-sulfinatooxycyclohex-3-ene-1-sulfonate;methane;bis(4-methylbenzenesulfonate);triethylazanium is sourced from PubChem (CID 157464078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).