[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride

C307H334BCl2F21N18O36P2S3 — CID 176534157

IUPAC[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride
SMILESCCCCN1/C(=C/C=C2\CCC(=CC=C3N(CCCC(=O)OC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(C)ccc21.CCCCN1/C(=C/C=C2\CCC(=CC=C3N(CCCOC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(C)ccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4c5ccccc5ccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2c1ccc1ccccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4cc(C)ccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2cc(C)ccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4ccccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2ccccc21.COC(=O)CCN1C(=CC=C2CC/C(=C\C=C3\N(CCC(=O)OC)c4ccc(Cl)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(Cl)ccc21.FB(F)F.FP(F)F.FP(F)F.O=C=O.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-].[F-].[F-]
InChIInChI=1S/C55H56N3O6.C52H60N3O2.C51H60N3O.C49H50Cl2N3O4.C49H56N3O6.C47H52N3O6.3CHF3O3S.CO2.BF3.2F3P.3FH/c1-3-59-37-39-61-35-33-56-49-29-25-41-15-11-13-21-47(41)54(49)63-51(56)31-27-43-23-24-44(53(43)58(45-17-7-5-8-18-45)46-19-9-6-10-20-46)28-32-52-57(34-36-62-40-38-60-4-2)50-30-26-42-16-12-14-22-48(42)55(50)64-52;1-9-10-33-53-45-29-23-37(2)35-43(45)51(4,5)47(53)31-27-39-25-26-40(50(39)55(41-18-13-11-14-19-41)42-20-15-12-16-21-42)28-32-48-52(6,7)44-36-38(3)24-30-46(44)54(48)34-17-22-49(56)57-8;1-9-10-32-52-45-28-22-37(2)35-43(45)50(4,5)47(52)30-26-39-24-25-40(49(39)54(41-18-13-11-14-19-41)42-20-15-12-16-21-42)27-31-48-51(6,7)44-36-38(3)23-29-46(44)53(48)33-17-34-55-8;1-48(2)39-31-35(50)21-23-41(39)52(29-27-45(55)57-5)43(48)25-19-33-17-18-34(47(33)54(37-13-9-7-10-14-37)38-15-11-8-12-16-38)20-26-44-49(3,4)40-32-36(51)22-24-42(40)53(44)30-28-46(56)58-6;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;2-1(3)4;2*1-4(2)3;;;/h5-22,25-32H,3-4,23-24,33-40H2,1-2H3;11-16,18-21,23-24,27-32,35-36H,9-10,17,22,25-26,33-34H2,1-8H3;11-16,18-23,26-31,35-36H,9-10,17,24-25,32-34H2,1-8H3;7-16,19-26,31-32H,17-18,27-30H2,1-6H3;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);;;;;3*1H/q6*+1;;;;;;;;;;/p-6
InChIKeyBEDCTSBWJIPCLY-UHFFFAOYSA-H
MW5490.96 g/mol
LogP62.98
Rot. Bonds92

About [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride

[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride (PubChem CID 176534157) has the molecular formula C307H334BCl2F21N18O36P2S3 and a molecular weight of 5490.96 g/mol. Its IUPAC name is [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride.

Molecular Properties

Compound Name[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride
PubChem CID176534157
Molecular FormulaC307H334BCl2F21N18O36P2S3
Molecular Weight5490.96 g/mol
Exact Mass5486.26
IUPAC Name[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride
SMILESCCCCN1/C(=C/C=C2\CCC(=CC=C3N(CCCC(=O)OC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(C)ccc21.CCCCN1/C(=C/C=C2\CCC(=CC=C3N(CCCOC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(C)ccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4c5ccccc5ccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2c1ccc1ccccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4cc(C)ccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2cc(C)ccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4ccccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2ccccc21.COC(=O)CCN1C(=CC=C2CC/C(=C\C=C3\N(CCC(=O)OC)c4ccc(Cl)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(Cl)ccc21.FB(F)F.FP(F)F.FP(F)F.O=C=O.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-].[F-].[F-]
InChIInChI=1S/C55H56N3O6.C52H60N3O2.C51H60N3O.C49H50Cl2N3O4.C49H56N3O6.C47H52N3O6.3CHF3O3S.CO2.BF3.2F3P.3FH/c1-3-59-37-39-61-35-33-56-49-29-25-41-15-11-13-21-47(41)54(49)63-51(56)31-27-43-23-24-44(53(43)58(45-17-7-5-8-18-45)46-19-9-6-10-20-46)28-32-52-57(34-36-62-40-38-60-4-2)50-30-26-42-16-12-14-22-48(42)55(50)64-52;1-9-10-33-53-45-29-23-37(2)35-43(45)51(4,5)47(53)31-27-39-25-26-40(50(39)55(41-18-13-11-14-19-41)42-20-15-12-16-21-42)28-32-48-52(6,7)44-36-38(3)24-30-46(44)54(48)34-17-22-49(56)57-8;1-9-10-32-52-45-28-22-37(2)35-43(45)50(4,5)47(52)30-26-39-24-25-40(49(39)54(41-18-13-11-14-19-41)42-20-15-12-16-21-42)27-31-48-51(6,7)44-36-38(3)23-29-46(44)53(48)33-17-34-55-8;1-48(2)39-31-35(50)21-23-41(39)52(29-27-45(55)57-5)43(48)25-19-33-17-18-34(47(33)54(37-13-9-7-10-14-37)38-15-11-8-12-16-38)20-26-44-49(3,4)40-32-36(51)22-24-42(40)53(44)30-28-46(56)58-6;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;2-1(3)4;2*1-4(2)3;;;/h5-22,25-32H,3-4,23-24,33-40H2,1-2H3;11-16,18-21,23-24,27-32,35-36H,9-10,17,22,25-26,33-34H2,1-8H3;11-16,18-23,26-31,35-36H,9-10,17,24-25,32-34H2,1-8H3;7-16,19-26,31-32H,17-18,27-30H2,1-6H3;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);;;;;3*1H/q6*+1;;;;;;;;;;/p-6
InChIKeyBEDCTSBWJIPCLY-UHFFFAOYSA-H
XLogP62.98
TPSA531.29 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds92
Heavy Atoms390
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005490.96
LogP ≤ 562.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride?
The IUPAC name of [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride (CID 176534157) is [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride.
What is the SMILES notation for [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride?
The canonical SMILES for [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride is CCCCN1/C(=C/C=C2\CCC(=CC=C3N(CCCC(=O)OC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(C)ccc21.CCCCN1/C(=C/C=C2\CCC(=CC=C3N(CCCOC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(C)ccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4c5ccccc5ccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2c1ccc1ccccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4cc(C)ccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2cc(C)ccc21.CCOCCOCCN1/C(=C/C=C2\CCC(/C=C/c3oc4ccccc4[n+]3CCOCCOCC)=C2N(c2ccccc2)c2ccccc2)Oc2ccccc21.COC(=O)CCN1C(=CC=C2CC/C(=C\C=C3\N(CCC(=O)OC)c4ccc(Cl)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(Cl)ccc21.FB(F)F.FP(F)F.FP(F)F.O=C=O.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-].[F-].[F-].
What is the InChIKey of [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride?
The InChIKey is BEDCTSBWJIPCLY-UHFFFAOYSA-H. The full InChI is InChI=1S/C55H56N3O6.C52H60N3O2.C51H60N3O.C49H50Cl2N3O4.C49H56N3O6.C47H52N3O6.3CHF3O3S.CO2.BF3.2F3P.3FH/c1-3-59-37-39-61-35-33-56-49-29-25-41-15-11-13-21-47(41)54(49)63-51(56)31-27-43-23-24-44(53(43)58(45-17-7-5-8-18-45)46-19-9-6-10-20-46)28-32-52-57(34-36-62-40-38-60-4-2)50-30-26-42-16-12-14-22-48(42)55(50)64-52;1-9-10-33-53-45-29-23-37(2)35-43(45)51(4,5)47(53)31-27-39-25-26-40(50(39)55(41-18-13-11-14-19-41)42-20-15-12-16-21-42)28-32-48-52(6,7)44-36-38(3)24-30-46(44)54(48)34-17-22-49(56)57-8;1-9-10-32-52-45-28-22-37(2)35-43(45)50(4,5)47(52)30-26-39-24-25-40(49(39)54(41-18-13-11-14-19-41)42-20-15-12-16-21-42)27-31-48-51(6,7)44-36-38(3)23-29-46(44)53(48)33-17-34-55-8;1-48(2)39-31-35(50)21-23-41(39)52(29-27-45(55)57-5)43(48)25-19-33-17-18-34(47(33)54(37-13-9-7-10-14-37)38-15-11-8-12-16-38)20-26-44-49(3,4)40-32-36(51)22-24-42(40)53(44)30-28-46(56)58-6;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;2-1(3)4;2*1-4(2)3;;;/h5-22,25-32H,3-4,23-24,33-40H2,1-2H3;11-16,18-21,23-24,27-32,35-36H,9-10,17,22,25-26,33-34H2,1-8H3;11-16,18-23,26-31,35-36H,9-10,17,24-25,32-34H2,1-8H3;7-16,19-26,31-32H,17-18,27-30H2,1-6H3;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);;;;;3*1H/q6*+1;;;;;;;;;;/p-6.
What are the key properties of [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride?
[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride has a molecular weight of 5490.96 g/mol, XLogP of 62.98, 92 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(4-methoxy-4-oxobutyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;[(2E)-2-[(2E)-2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[2-[1-(3-methoxypropyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;carbon dioxide;[(2E)-2-[(2E)-2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]-5-[2-[5-chloro-1-(3-methoxy-3-oxopropyl)-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]benzo[g][1,3]benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;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;N-[(5E)-2-[(E)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-3-ium-2-yl]ethenyl]-5-[(2Z)-2-[3-[2-(2-ethoxyethoxy)ethyl]-6-methyl-1,3-benzoxazol-2-ylidene]ethylidene]cyclopenten-1-yl]-N-phenylaniline;trifluoroborane;tris(trifluoromethanesulfonate);bis(trifluorophosphane);trifluoride is sourced from PubChem (CID 176534157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).