[2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride

C148H171Cl5N18O20P9Pd5+9 — CID 162295255

IUPAC[2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride
SMILESC=CC.C=CC.C=COc1ccccc1[C@H]1N(C(C)=O)N[C@H](c2ccccc2OC(C)=O)[PH+]1C.C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1CC[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.C[CH-]n1c(=O)c2ccccc2c(=O)n1[C@H](C)[PH+](C)c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.Cl[Pd+].Cl[Pd+].Cl[Pd+].[CH3-].[CH3-].[CH3-].[CH3-].[Cl-].[Cl-].[Pd+2].[Pd+2]
InChIInChI=1S/C31H31N4O4P2.2C30H28N4O4P2.C26H28N4O4P2.C21H23N2O4P.2C3H6.4CH3.5ClH.5Pd/c1-6-32-28(36)22-13-7-8-14-23(22)29(37)33(32)19(2)40(5)26-17-11-12-18-27(26)41-20(3)34-30(38)24-15-9-10-16-25(24)31(39)35(34)21(41)4;2*1-17-31-27(35)21-11-5-6-12-22(21)28(36)32(31)18(2)39(17)25-15-9-10-16-26(25)40-19(3)33-29(37)23-13-7-8-14-24(23)30(38)34(33)20(40)4;1-15-27-23(31)19-9-5-6-10-20(19)24(32)28(27)16(2)35(15)13-14-36-17(3)29-25(33)21-11-7-8-12-22(21)26(34)30(29)18(36)4;1-5-26-18-12-8-7-11-17(18)21-23(14(2)24)22-20(28(21)4)16-10-6-9-13-19(16)27-15(3)25;2*1-3-2;;;;;;;;;;;;;;/h6-21H,1-5H3;2*5-20H,1-4H3;5-12,15-18H,13-14H2,1-4H3;5-13,20-22H,1H2,2-4H3;2*3H,1H2,2H3;4*1H3;5*1H;;;;;/q-1;;;;;;;4*-1;;;;;;5*+2/p+4/t19-,20-,21-,40?;2*17-,18-,19-,20-;15-,16-,17-,18-;20-,21-,28?;;;;;;;;;;;;;;;;/m00000................/s1
InChIKeyHFCPGGIMSXPAMO-ZDNOGMOESA-R
MW3510.23 g/mol
LogP19.75
Rot. Bonds17

About [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride

[2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride (PubChem CID 162295255) has the molecular formula C148H171Cl5N18O20P9Pd5+9 and a molecular weight of 3510.23 g/mol. Its IUPAC name is [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride.

Molecular Properties

Compound Name[2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride
PubChem CID162295255
Molecular FormulaC148H171Cl5N18O20P9Pd5+9
Molecular Weight3510.23 g/mol
Exact Mass3503.41
IUPAC Name[2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride
SMILESC=CC.C=CC.C=COc1ccccc1[C@H]1N(C(C)=O)N[C@H](c2ccccc2OC(C)=O)[PH+]1C.C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1CC[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.C[CH-]n1c(=O)c2ccccc2c(=O)n1[C@H](C)[PH+](C)c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.Cl[Pd+].Cl[Pd+].Cl[Pd+].[CH3-].[CH3-].[CH3-].[CH3-].[Cl-].[Cl-].[Pd+2].[Pd+2]
InChIInChI=1S/C31H31N4O4P2.2C30H28N4O4P2.C26H28N4O4P2.C21H23N2O4P.2C3H6.4CH3.5ClH.5Pd/c1-6-32-28(36)22-13-7-8-14-23(22)29(37)33(32)19(2)40(5)26-17-11-12-18-27(26)41-20(3)34-30(38)24-15-9-10-16-25(24)31(39)35(34)21(41)4;2*1-17-31-27(35)21-11-5-6-12-22(21)28(36)32(31)18(2)39(17)25-15-9-10-16-26(25)40-19(3)33-29(37)23-13-7-8-14-24(23)30(38)34(33)20(40)4;1-15-27-23(31)19-9-5-6-10-20(19)24(32)28(27)16(2)35(15)13-14-36-17(3)29-25(33)21-11-7-8-12-22(21)26(34)30(29)18(36)4;1-5-26-18-12-8-7-11-17(18)21-23(14(2)24)22-20(28(21)4)16-10-6-9-13-19(16)27-15(3)25;2*1-3-2;;;;;;;;;;;;;;/h6-21H,1-5H3;2*5-20H,1-4H3;5-12,15-18H,13-14H2,1-4H3;5-13,20-22H,1H2,2-4H3;2*3H,1H2,2H3;4*1H3;5*1H;;;;;/q-1;;;;;;;4*-1;;;;;;5*+2/p+4/t19-,20-,21-,40?;2*17-,18-,19-,20-;15-,16-,17-,18-;20-,21-,28?;;;;;;;;;;;;;;;;/m00000................/s1
InChIKeyHFCPGGIMSXPAMO-ZDNOGMOESA-R
XLogP19.75
TPSA419.87 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds17
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003510.23
LogP ≤ 519.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride?
The IUPAC name of [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride (CID 162295255) is [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride.
What is the SMILES notation for [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride?
The canonical SMILES for [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride is C=CC.C=CC.C=COc1ccccc1[C@H]1N(C(C)=O)N[C@H](c2ccccc2OC(C)=O)[PH+]1C.C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1CC[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.C[C@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](C)[PH+]1c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.C[CH-]n1c(=O)c2ccccc2c(=O)n1[C@H](C)[PH+](C)c1ccccc1[PH+]1[C@@H](C)n2c(=O)c3ccccc3c(=O)n2[C@@H]1C.Cl[Pd+].Cl[Pd+].Cl[Pd+].[CH3-].[CH3-].[CH3-].[CH3-].[Cl-].[Cl-].[Pd+2].[Pd+2].
What is the InChIKey of [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride?
The InChIKey is HFCPGGIMSXPAMO-ZDNOGMOESA-R. The full InChI is InChI=1S/C31H31N4O4P2.2C30H28N4O4P2.C26H28N4O4P2.C21H23N2O4P.2C3H6.4CH3.5ClH.5Pd/c1-6-32-28(36)22-13-7-8-14-23(22)29(37)33(32)19(2)40(5)26-17-11-12-18-27(26)41-20(3)34-30(38)24-15-9-10-16-25(24)31(39)35(34)21(41)4;2*1-17-31-27(35)21-11-5-6-12-22(21)28(36)32(31)18(2)39(17)25-15-9-10-16-26(25)40-19(3)33-29(37)23-13-7-8-14-24(23)30(38)34(33)20(40)4;1-15-27-23(31)19-9-5-6-10-20(19)24(32)28(27)16(2)35(15)13-14-36-17(3)29-25(33)21-11-7-8-12-22(21)26(34)30(29)18(36)4;1-5-26-18-12-8-7-11-17(18)21-23(14(2)24)22-20(28(21)4)16-10-6-9-13-19(16)27-15(3)25;2*1-3-2;;;;;;;;;;;;;;/h6-21H,1-5H3;2*5-20H,1-4H3;5-12,15-18H,13-14H2,1-4H3;5-13,20-22H,1H2,2-4H3;2*3H,1H2,2H3;4*1H3;5*1H;;;;;/q-1;;;;;;;4*-1;;;;;;5*+2/p+4/t19-,20-,21-,40?;2*17-,18-,19-,20-;15-,16-,17-,18-;20-,21-,28?;;;;;;;;;;;;;;;;/m00000................/s1.
What are the key properties of [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride?
[2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride has a molecular weight of 3510.23 g/mol, XLogP of 19.75, 17 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S,5S)-1-acetyl-5-(2-ethenoxyphenyl)-4-methyl-1,2,4-diazaphospholidin-4-ium-3-yl]phenyl] acetate;carbanide;tris(chloropalladium(1+));(1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]ethyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione;bis((1S,3S)-2-[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-1,3-dimethyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione);[2-[(1S,3S)-1,3-dimethyl-5,10-dioxo-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-2-yl]phenyl]-[(1S)-1-(3-ethyl-1,4-dioxophthalazin-2-yl)ethyl]-methylphosphanium;bis(palladium(2+));bis(prop-1-ene);dichloride is sourced from PubChem (CID 162295255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).