4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride

C268H188F48P8S12Se22 — CID 161413398

IUPAC4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride
SMILESC(/C=C/C=C/c1cc(-c2ccc[se]2)[se+]c(-c2ccc[se]2)c1)=C1C=C(c2ccc[se]2)[Se]C(c2ccc[se]2)=C1.C1=C(c2ccccc2)SC(c2ccc[se]2)=C/C1=C/C=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)SC(c2ccc[se]2)=C/C1=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)SC(c2cccs2)=C/C1=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2cccs2)c1.C1=C(c2ccccc2)[Se]C(c2ccc[se]2)=C/C1=C/C=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)[Se]C(c2ccc[se]2)=C/C1=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)[Se]C(c2cccs2)=C/C1=C/C=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2cccs2)c1.C1=C(c2ccccc2)[Se]C(c2cccs2)=C/C1=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2cccs2)c1.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/2C35H25S2Se2.C35H25Se4.C33H23S4.2C33H23S2Se2.C33H23Se4.C31H21Se6.8F5P.8FH/c1(4-12-26-22-30(28-14-6-2-7-15-28)36-32(24-26)34-18-10-20-38-34)5-13-27-23-31(29-16-8-3-9-17-29)37-33(25-27)35-19-11-21-39-35;2*1(4-12-26-22-32(28-14-6-2-7-15-28)38-34(24-26)30-18-10-20-36-30)5-13-27-23-33(29-16-8-3-9-17-29)39-35(25-27)31-19-11-21-37-31;1-3-12-26(13-4-1)30-20-24(22-32(36-30)28-16-8-18-34-28)10-7-11-25-21-31(27-14-5-2-6-15-27)37-33(23-25)29-17-9-19-35-29;1-3-12-26(13-4-1)28-20-24(22-30(34-28)32-16-8-18-36-32)10-7-11-25-21-29(27-14-5-2-6-15-27)35-31(23-25)33-17-9-19-37-33;2*1-3-12-26(13-4-1)30-20-24(22-32(36-30)28-16-8-18-34-28)10-7-11-25-21-31(27-14-5-2-6-15-27)37-33(23-25)29-17-9-19-35-29;1(2-8-22-18-28(24-10-4-14-32-24)36-29(19-22)25-11-5-15-33-25)3-9-23-20-30(26-12-6-16-34-26)37-31(21-23)27-13-7-17-35-27;8*1-6(2,3,4)5;;;;;;;;/h3*1-25H;4*1-23H;1-21H;;;;;;;;;8*1H/q8*+1;;;;;;;;;;;;;;;;/p-8
InChIKeyVVTPHIZNPDEBNX-UHFFFAOYSA-F
MW6690.07 g/mol
LogP69.89
Rot. Bonds52

About 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride

4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride (PubChem CID 161413398) has the molecular formula C268H188F48P8S12Se22 and a molecular weight of 6690.07 g/mol. Its IUPAC name is 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride.

Molecular Properties

Compound Name4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride
PubChem CID161413398
Molecular FormulaC268H188F48P8S12Se22
Molecular Weight6690.07 g/mol
Exact Mass6707.01
IUPAC Name4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride
SMILESC(/C=C/C=C/c1cc(-c2ccc[se]2)[se+]c(-c2ccc[se]2)c1)=C1C=C(c2ccc[se]2)[Se]C(c2ccc[se]2)=C1.C1=C(c2ccccc2)SC(c2ccc[se]2)=C/C1=C/C=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)SC(c2ccc[se]2)=C/C1=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)SC(c2cccs2)=C/C1=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2cccs2)c1.C1=C(c2ccccc2)[Se]C(c2ccc[se]2)=C/C1=C/C=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)[Se]C(c2ccc[se]2)=C/C1=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)[Se]C(c2cccs2)=C/C1=C/C=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2cccs2)c1.C1=C(c2ccccc2)[Se]C(c2cccs2)=C/C1=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2cccs2)c1.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/2C35H25S2Se2.C35H25Se4.C33H23S4.2C33H23S2Se2.C33H23Se4.C31H21Se6.8F5P.8FH/c1(4-12-26-22-30(28-14-6-2-7-15-28)36-32(24-26)34-18-10-20-38-34)5-13-27-23-31(29-16-8-3-9-17-29)37-33(25-27)35-19-11-21-39-35;2*1(4-12-26-22-32(28-14-6-2-7-15-28)38-34(24-26)30-18-10-20-36-30)5-13-27-23-33(29-16-8-3-9-17-29)39-35(25-27)31-19-11-21-37-31;1-3-12-26(13-4-1)30-20-24(22-32(36-30)28-16-8-18-34-28)10-7-11-25-21-31(27-14-5-2-6-15-27)37-33(23-25)29-17-9-19-35-29;1-3-12-26(13-4-1)28-20-24(22-30(34-28)32-16-8-18-36-32)10-7-11-25-21-29(27-14-5-2-6-15-27)35-31(23-25)33-17-9-19-37-33;2*1-3-12-26(13-4-1)30-20-24(22-32(36-30)28-16-8-18-34-28)10-7-11-25-21-31(27-14-5-2-6-15-27)37-33(23-25)29-17-9-19-35-29;1(2-8-22-18-28(24-10-4-14-32-24)36-29(19-22)25-11-5-15-33-25)3-9-23-20-30(26-12-6-16-34-26)37-31(21-23)27-13-7-17-35-27;8*1-6(2,3,4)5;;;;;;;;/h3*1-25H;4*1-23H;1-21H;;;;;;;;;8*1H/q8*+1;;;;;;;;;;;;;;;;/p-8
InChIKeyVVTPHIZNPDEBNX-UHFFFAOYSA-F
XLogP69.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds52
Heavy Atoms358
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006690.07
LogP ≤ 569.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride?
The IUPAC name of 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride (CID 161413398) is 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride.
What is the SMILES notation for 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride?
The canonical SMILES for 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride is C(/C=C/C=C/c1cc(-c2ccc[se]2)[se+]c(-c2ccc[se]2)c1)=C1C=C(c2ccc[se]2)[Se]C(c2ccc[se]2)=C1.C1=C(c2ccccc2)SC(c2ccc[se]2)=C/C1=C/C=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)SC(c2ccc[se]2)=C/C1=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)SC(c2cccs2)=C/C1=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2cccs2)c1.C1=C(c2ccccc2)[Se]C(c2ccc[se]2)=C/C1=C/C=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)[Se]C(c2ccc[se]2)=C/C1=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2ccc[se]2)c1.C1=C(c2ccccc2)[Se]C(c2cccs2)=C/C1=C/C=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2cccs2)c1.C1=C(c2ccccc2)[Se]C(c2cccs2)=C/C1=C/C=C/c1cc(-c2ccccc2)[se+]c(-c2cccs2)c1.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].
What is the InChIKey of 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride?
The InChIKey is VVTPHIZNPDEBNX-UHFFFAOYSA-F. The full InChI is InChI=1S/2C35H25S2Se2.C35H25Se4.C33H23S4.2C33H23S2Se2.C33H23Se4.C31H21Se6.8F5P.8FH/c1(4-12-26-22-30(28-14-6-2-7-15-28)36-32(24-26)34-18-10-20-38-34)5-13-27-23-31(29-16-8-3-9-17-29)37-33(25-27)35-19-11-21-39-35;2*1(4-12-26-22-32(28-14-6-2-7-15-28)38-34(24-26)30-18-10-20-36-30)5-13-27-23-33(29-16-8-3-9-17-29)39-35(25-27)31-19-11-21-37-31;1-3-12-26(13-4-1)30-20-24(22-32(36-30)28-16-8-18-34-28)10-7-11-25-21-31(27-14-5-2-6-15-27)37-33(23-25)29-17-9-19-35-29;1-3-12-26(13-4-1)28-20-24(22-30(34-28)32-16-8-18-36-32)10-7-11-25-21-29(27-14-5-2-6-15-27)35-31(23-25)33-17-9-19-37-33;2*1-3-12-26(13-4-1)30-20-24(22-32(36-30)28-16-8-18-34-28)10-7-11-25-21-31(27-14-5-2-6-15-27)37-33(23-25)29-17-9-19-35-29;1(2-8-22-18-28(24-10-4-14-32-24)36-29(19-22)25-11-5-15-33-25)3-9-23-20-30(26-12-6-16-34-26)37-31(21-23)27-13-7-17-35-27;8*1-6(2,3,4)5;;;;;;;;/h3*1-25H;4*1-23H;1-21H;;;;;;;;;8*1H/q8*+1;;;;;;;;;;;;;;;;/p-8.
What are the key properties of 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride?
4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride has a molecular weight of 6690.07 g/mol, XLogP of 69.89, 52 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-[2,6-di(selenophen-2-yl)selenopyran-1-ium-4-yl]penta-2,4-dienylidene]-2,6-di(selenophen-2-yl)selenopyran;octakis(pentafluoro-λ5-phosphane);(4E)-2-phenyl-4-[(2E,4E)-5-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]-6-selenophen-2-ylselenopyran;(4E)-2-phenyl-4-[(E)-3-(2-phenyl-6-selenophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]-6-selenophen-2-ylselenopyran;2-phenyl-4-[(1E,3E,5E)-5-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)penta-1,3-dienyl]-6-selenophen-2-ylthiopyrylium;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-selenophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-selenophen-2-ylthiopyrylium;2-[(4E)-6-phenyl-4-[(2E,4E)-5-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)penta-2,4-dienylidene]selenopyran-2-yl]thiophene;2-[(4E)-6-phenyl-4-[(E)-3-(2-phenyl-6-thiophen-2-ylselenopyran-1-ium-4-yl)prop-2-enylidene]selenopyran-2-yl]thiophene;2-phenyl-4-[(E,3E)-3-(2-phenyl-6-thiophen-2-ylthiopyran-4-ylidene)prop-1-enyl]-6-thiophen-2-ylthiopyrylium;octafluoride is sourced from PubChem (CID 161413398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).