(2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate

C188H232F48N12O10P8 — CID 160924907

IUPAC(2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate
SMILESCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)C)C(C)(C)c2c1ccc1ccccc21.CCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CC)c4ccc(C)cc4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)(C)C)C(C)(C)c2cc(C)ccc21.CCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CC)c4ccc(OC)cc4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)C)C(C)(C)c2cc(CO)ccc21.COCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCCO)c4ccc(OC)cc4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)C)C(C)(C)c2cc(CO)ccc21.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C50H55N3O.C47H61N3O5.C46H59N3O.C45H57N3O3.8F6P/c1-10-53-42-26-22-35-16-12-14-18-40(35)46(42)50(6,7)44(53)28-24-37-20-19-36(48(37)54-47(33(2)3)38-29-31-51(8)32-30-38)23-27-43-49(4,5)45-39-17-13-11-15-34(39)21-25-41(45)52(43)9;1-32(2)44(36-21-24-48(7)25-22-36)55-45-34(14-19-42-47(5,6)39-30-37(54-9)16-18-41(39)49(42)23-10-27-51)12-13-35(45)15-20-43-46(3,4)38-29-33(31-52)11-17-40(38)50(43)26-28-53-8;1-13-48-38-21-15-31(3)29-36(38)45(8,9)40(48)23-19-33-17-18-34(42(33)50-43(44(5,6)7)35-25-27-47(12)28-26-35)20-24-41-46(10,11)37-30-32(4)16-22-39(37)49(41)14-2;1-11-47-38-19-13-31(29-49)27-36(38)44(5,6)40(47)21-16-32-14-15-33(43(32)51-42(30(3)4)34-23-25-46(9)26-24-34)17-22-41-45(7,8)37-28-35(50-10)18-20-39(37)48(41)12-2;8*1-7(2,3,4,5)6/h11-18,21-33,47H,10,19-20H2,1-9H3;11,14-22,24-25,29-30,32,44,51-52H,10,12-13,23,26-28,31H2,1-9H3;15-16,19-30,43H,13-14,17-18H2,1-12H3;13,16-28,30,42,49H,11-12,14-15,29H2,1-10H3;;;;;;;;/q4*+2;8*-1
InChIKeyWEHPXHGHVKLSIC-UHFFFAOYSA-N
MW3979.69 g/mol
LogP66.19
Rot. Bonds42

About (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate

(2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate (PubChem CID 160924907) has the molecular formula C188H232F48N12O10P8 and a molecular weight of 3979.69 g/mol. Its IUPAC name is (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate.

Molecular Properties

Compound Name(2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate
PubChem CID160924907
Molecular FormulaC188H232F48N12O10P8
Molecular Weight3979.69 g/mol
Exact Mass3977.51
IUPAC Name(2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate
SMILESCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)C)C(C)(C)c2c1ccc1ccccc21.CCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CC)c4ccc(C)cc4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)(C)C)C(C)(C)c2cc(C)ccc21.CCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CC)c4ccc(OC)cc4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)C)C(C)(C)c2cc(CO)ccc21.COCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCCO)c4ccc(OC)cc4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)C)C(C)(C)c2cc(CO)ccc21.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C50H55N3O.C47H61N3O5.C46H59N3O.C45H57N3O3.8F6P/c1-10-53-42-26-22-35-16-12-14-18-40(35)46(42)50(6,7)44(53)28-24-37-20-19-36(48(37)54-47(33(2)3)38-29-31-51(8)32-30-38)23-27-43-49(4,5)45-39-17-13-11-15-34(39)21-25-41(45)52(43)9;1-32(2)44(36-21-24-48(7)25-22-36)55-45-34(14-19-42-47(5,6)39-30-37(54-9)16-18-41(39)49(42)23-10-27-51)12-13-35(45)15-20-43-46(3,4)38-29-33(31-52)11-17-40(38)50(43)26-28-53-8;1-13-48-38-21-15-31(3)29-36(38)45(8,9)40(48)23-19-33-17-18-34(42(33)50-43(44(5,6)7)35-25-27-47(12)28-26-35)20-24-41-46(10,11)37-30-32(4)16-22-39(37)49(41)14-2;1-11-47-38-19-13-31(29-49)27-36(38)44(5,6)40(47)21-16-32-14-15-33(43(32)51-42(30(3)4)34-23-25-46(9)26-24-34)17-22-41-45(7,8)37-28-35(50-10)18-20-39(37)48(41)12-2;8*1-7(2,3,4,5)6/h11-18,21-33,47H,10,19-20H2,1-9H3;11,14-22,24-25,29-30,32,44,51-52H,10,12-13,23,26-28,31H2,1-9H3;15-16,19-30,43H,13-14,17-18H2,1-12H3;13,16-28,30,42,49H,11-12,14-15,29H2,1-10H3;;;;;;;;/q4*+2;8*-1
InChIKeyWEHPXHGHVKLSIC-UHFFFAOYSA-N
XLogP66.19
TPSA165.82 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds42
Heavy Atoms266
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003979.69
LogP ≤ 566.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate?
The IUPAC name of (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate (CID 160924907) is (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate.
What is the SMILES notation for (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate?
The canonical SMILES for (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate is CCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)C)C(C)(C)c2c1ccc1ccccc21.CCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CC)c4ccc(C)cc4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)(C)C)C(C)(C)c2cc(C)ccc21.CCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CC)c4ccc(OC)cc4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)C)C(C)(C)c2cc(CO)ccc21.COCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCCO)c4ccc(OC)cc4C3(C)C)=C2OC(c2cc[n+](C)cc2)C(C)C)C(C)(C)c2cc(CO)ccc21.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.
What is the InChIKey of (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate?
The InChIKey is WEHPXHGHVKLSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H55N3O.C47H61N3O5.C46H59N3O.C45H57N3O3.8F6P/c1-10-53-42-26-22-35-16-12-14-18-40(35)46(42)50(6,7)44(53)28-24-37-20-19-36(48(37)54-47(33(2)3)38-29-31-51(8)32-30-38)23-27-43-49(4,5)45-39-17-13-11-15-34(39)21-25-41(45)52(43)9;1-32(2)44(36-21-24-48(7)25-22-36)55-45-34(14-19-42-47(5,6)39-30-37(54-9)16-18-41(39)49(42)23-10-27-51)12-13-35(45)15-20-43-46(3,4)38-29-33(31-52)11-17-40(38)50(43)26-28-53-8;1-13-48-38-21-15-31(3)29-36(38)45(8,9)40(48)23-19-33-17-18-34(42(33)50-43(44(5,6)7)35-25-27-47(12)28-26-35)20-24-41-46(10,11)37-30-32(4)16-22-39(37)49(41)14-2;1-11-47-38-19-13-31(29-49)27-36(38)44(5,6)40(47)21-16-32-14-15-33(43(32)51-42(30(3)4)34-23-25-46(9)26-24-34)17-22-41-45(7,8)37-28-35(50-10)18-20-39(37)48(41)12-2;8*1-7(2,3,4,5)6/h11-18,21-33,47H,10,19-20H2,1-9H3;11,14-22,24-25,29-30,32,44,51-52H,10,12-13,23,26-28,31H2,1-9H3;15-16,19-30,43H,13-14,17-18H2,1-12H3;13,16-28,30,42,49H,11-12,14-15,29H2,1-10H3;;;;;;;;/q4*+2;8*-1.
What are the key properties of (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate?
(2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate has a molecular weight of 3979.69 g/mol, XLogP of 66.19, 42 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E)-2-[2-[2,2-dimethyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]-3-[(E)-2-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1-ethyl-3,3,5-trimethylindole;2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium;[(2E)-1-ethyl-2-[(2E)-2-[3-[(E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-5-yl]methanol;3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-(hydroxymethyl)-1-(2-methoxyethyl)-3,3-dimethylindol-2-ylidene]ethylidene]-2-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]cyclopenten-1-yl]ethenyl]-5-methoxy-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;octahexafluorophosphate is sourced from PubChem (CID 160924907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).