N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride

C₂₀₇H₂₄₈BF₁₃N₁₂O₂₅S₅ — CID 158865230

About N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride

N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride (PubChem CID 158865230) has the molecular formula C₂₀₇H₂₄₈BF₁₃N₁₂O₂₅S₅ and a molecular weight of 3722.44 g/mol. Its IUPAC name is N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride.

Molecular Properties

• Compound Name: N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride
• PubChem CID: 158865230
• Molecular Formula: C₂₀₇H₂₄₈BF₁₃N₁₂O₂₅S₅
• Molecular Weight: 3722.44 g/mol
• Exact Mass: 3719.70
• IUPAC Name: N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride
• SMILES: C.C.C.C.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4ccccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2ccccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3sc4cc(C)ccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Sc2cc(C)ccc21.CCOCCOCCN1C(=CC=C2CC/C(=C\C=C3\N(CCOCCOCC)c4ccccc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21.COCCCN1C(=CC=C2CC/C(=C\C=C3\N(CCCOC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(C)ccc21.FB(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[F-]
• InChI: InChI=1S/C53H64N3O4.C51H60N3O2.C49H56N3O4S2.C47H52N3O6.3CHF3O3S.4CH4.BF3.FH/c1-7-57-37-39-59-35-33-54-47-25-17-15-23-45(47)52(3,4)49(54)31-29-41-27-28-42(51(41)56(43-19-11-9-12-20-43)44-21-13-10-14-22-44)30-32-50-53(5,6)46-24-16-18-26-48(46)55(50)34-36-60-40-38-58-8-2;1-37-21-27-45-43(35-37)50(3,4)47(52(45)31-15-33-55-7)29-25-39-23-24-40(49(39)54(41-17-11-9-12-18-41)42-19-13-10-14-20-42)26-30-48-51(5,6)44-36-38(2)22-28-46(44)53(48)32-16-34-56-8;1-5-53-31-33-55-29-27-50-43-23-17-37(3)35-45(43)57-47(50)25-21-39-19-20-40(49(39)52(41-13-9-7-10-14-41)42-15-11-8-12-16-42)22-26-48-51(28-30-56-34-32-54-6-2)44-24-18-38(4)36-46(44)58-48;1-3-51-33-35-53-31-29-48-41-19-11-13-21-43(41)55-45(48)27-25-37-23-24-38(47(37)50(39-15-7-5-8-16-39)40-17-9-6-10-18-40)26-28-46-49(30-32-54-36-34-52-4-2)42-20-12-14-22-44(42)56-46;3*2-1(3,4)8(5,6)7;;;;;2-1(3)4;/h9-26,29-32H,7-8,27-28,33-40H2,1-6H3;9-14,17-22,25-30,35-36H,15-16,23-24,31-34H2,1-8H3;7-18,21-26,35-36H,5-6,19-20,27-34H2,1-4H3;5-22,25-28H,3-4,23-24,29-36H2,1-2H3;3*(H,5,6,7);4*1H4;;1H/q4*+1;;;;;;;;;/p-4
• InChIKey: JBDLVYABXQMFIG-UHFFFAOYSA-J
• XLogP: 43.91
• TPSA: 362.89 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 70
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3722.44
LogP ≤ 5	43.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride?

The IUPAC name of N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride (CID 158865230) is N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride.

What is the SMILES notation for N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride?

The canonical SMILES for N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride is C.C.C.C.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4ccccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2ccccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3sc4cc(C)ccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Sc2cc(C)ccc21.CCOCCOCCN1C(=CC=C2CC/C(=C\C=C3\N(CCOCCOCC)c4ccccc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21.COCCCN1C(=CC=C2CC/C(=C\C=C3\N(CCCOC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(C)ccc21.FB(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[F-].

What is the InChIKey of N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride?

The InChIKey is JBDLVYABXQMFIG-UHFFFAOYSA-J. The full InChI is InChI=1S/C53H64N3O4.C51H60N3O2.C49H56N3O4S2.C47H52N3O6.3CHF3O3S.4CH4.BF3.FH/c1-7-57-37-39-59-35-33-54-47-25-17-15-23-45(47)52(3,4)49(54)31-29-41-27-28-42(51(41)56(43-19-11-9-12-20-43)44-21-13-10-14-22-44)30-32-50-53(5,6)46-24-16-18-26-48(46)55(50)34-36-60-40-38-58-8-2;1-37-21-27-45-43(35-37)50(3,4)47(52(45)31-15-33-55-7)29-25-39-23-24-40(49(39)54(41-17-11-9-12-18-41)42-19-13-10-14-20-42)26-30-48-51(5,6)44-36-38(2)22-28-46(44)53(48)32-16-34-56-8;1-5-53-31-33-55-29-27-50-43-23-17-37(3)35-45(43)57-47(50)25-21-39-19-20-40(49(39)52(41-13-9-7-10-14-41)42-15-11-8-12-16-42)22-26-48-51(28-30-56-34-32-54-6-2)44-24-18-38(4)36-46(44)58-48;1-3-51-33-35-53-31-29-48-41-19-11-13-21-43(41)55-45(48)27-25-37-23-24-38(47(37)50(39-15-7-5-8-16-39)40-17-9-6-10-18-40)26-28-46-49(30-32-54-36-34-52-4-2)42-20-12-14-22-44(42)56-46;3*2-1(3,4)8(5,6)7;;;;;2-1(3)4;/h9-26,29-32H,7-8,27-28,33-40H2,1-6H3;9-14,17-22,25-30,35-36H,15-16,23-24,31-34H2,1-8H3;7-18,21-26,35-36H,5-6,19-20,27-34H2,1-4H3;5-22,25-28H,3-4,23-24,29-36H2,1-2H3;3*(H,5,6,7);4*1H4;;1H/q4*+1;;;;;;;;;/p-4.

What are the key properties of N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride?

N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride has a molecular weight of 3722.44 g/mol, XLogP of 43.91, 70 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;[(5E)-2-[2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-[2-(2-ethoxyethoxy)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzothiazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;methane;[(5E)-2-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-5-[(2E)-2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;trifluoroborane;tris(trifluoromethanesulfonate);fluoride is sourced from PubChem (CID 158865230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158865230 — identifiers, structure, computed properties (public domain)

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