trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate

C193H222Mg3N36O25+14 — CID 158785396

IUPACtrimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate
SMILESCC1=C(C(=O)OCc2cc[n+](CCN)cc2)c2cc3cc4c([n-]3)c(c3[nH+]c(cc5[n-]c(cc1[nH+]2)c(C(=O)OCc1cc[n+](CCN)cc1)c5C)C(C)=C3CCC(=O)OCc1cc[n+](CCN)cc1)C(C(=O)OCc1cc[n+](CCN)cc1)C4=O.CC1=C(CCC(=O)OCc2cc[n+](CCN)cc2)c2cc3[n-]c(cc4[nH+]c(cc5[n-]c(cc1[nH+]2)c(C)c5C(=O)OCc1cc[n+](CCN)cc1)C(C)=C4C(=O)OCc1cc[n+](CCN)cc1)cc3CCC(=O)OCc1cc[n+](CCN)cc1.Cc1c2[n-]c(c1CCC(=O)OCc1cc[n+](CCN)cc1)Cc1[n-]c(c(CCC(=O)OCc3cc[n+](CCN)cc3)c1C)Cc1[n-]c(c(C)c1CCC(=O)OCc1cc[n+](CCN)cc1)Cc1[n-]c(c(CC(=O)OCc3cc[n+](CCN)cc3)c1C)C2.[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C67H82N12O8.C63H66N12O9.C63H70N12O8.3Mg/c1-44-53(6-9-65(81)85-41-49-13-25-77(26-14-49)32-20-69)61-39-62-54(7-10-66(82)86-42-50-15-27-78(28-16-50)33-21-70)46(3)58(74-62)37-60-52(5-8-64(80)84-40-48-11-23-76(24-12-48)31-19-68)45(2)59(73-60)38-63-55(47(4)57(75-63)36-56(44)72-61)35-67(83)87-43-51-17-29-79(30-18-51)34-22-71;1-38-46(4-5-53(76)81-34-41-6-18-72(19-7-41)26-14-64)58-56-57(63(80)84-37-44-12-24-75(25-13-44)29-17-67)60(77)47-30-45(68-59(47)56)31-51-54(61(78)82-35-42-8-20-73(21-9-42)27-15-65)40(3)50(69-51)33-52-55(39(2)49(70-52)32-48(38)71-58)62(79)83-36-43-10-22-74(23-11-43)28-16-66;1-41-50(5-7-59(77)81-38-45-10-22-73(23-11-45)29-17-65)55-36-54-48(4-6-58(76)80-37-44-8-20-72(21-9-44)28-16-64)32-49(68-54)33-56-60(62(78)82-39-46-12-24-74(25-13-46)30-18-66)43(3)53(70-56)35-57-61(42(2)52(71-57)34-51(41)69-55)63(79)83-40-47-14-26-75(27-15-47)31-19-67;;;/h11-18,23-30H,5-10,19-22,31-43,68-71H2,1-4H3;6-13,18-25,30-33,57H,4-5,14-17,26-29,34-37,64-67H2,1-3H3;8-15,20-27,32-36H,4-7,16-19,28-31,37-40,64-67H2,1-3H3;;;/q;5*+2/p+4/b;45-31?,48-32?,49-32?,50-33?,51-31?,52-33?,58-56-;;;;
InChIKeyJAYDZLVIPORVCH-RXKBMLHOSA-R
MW3519.04 g/mol
LogP6.66
Rot. Bonds73

About trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate

trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate (PubChem CID 158785396) has the molecular formula C193H222Mg3N36O25+14 and a molecular weight of 3519.04 g/mol. Its IUPAC name is trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate.

Molecular Properties

Compound Nametrimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate
PubChem CID158785396
Molecular FormulaC193H222Mg3N36O25+14
Molecular Weight3519.04 g/mol
Exact Mass3515.67
IUPAC Nametrimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate
SMILESCC1=C(C(=O)OCc2cc[n+](CCN)cc2)c2cc3cc4c([n-]3)c(c3[nH+]c(cc5[n-]c(cc1[nH+]2)c(C(=O)OCc1cc[n+](CCN)cc1)c5C)C(C)=C3CCC(=O)OCc1cc[n+](CCN)cc1)C(C(=O)OCc1cc[n+](CCN)cc1)C4=O.CC1=C(CCC(=O)OCc2cc[n+](CCN)cc2)c2cc3[n-]c(cc4[nH+]c(cc5[n-]c(cc1[nH+]2)c(C)c5C(=O)OCc1cc[n+](CCN)cc1)C(C)=C4C(=O)OCc1cc[n+](CCN)cc1)cc3CCC(=O)OCc1cc[n+](CCN)cc1.Cc1c2[n-]c(c1CCC(=O)OCc1cc[n+](CCN)cc1)Cc1[n-]c(c(CCC(=O)OCc3cc[n+](CCN)cc3)c1C)Cc1[n-]c(c(C)c1CCC(=O)OCc1cc[n+](CCN)cc1)Cc1[n-]c(c(CC(=O)OCc3cc[n+](CCN)cc3)c1C)C2.[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C67H82N12O8.C63H66N12O9.C63H70N12O8.3Mg/c1-44-53(6-9-65(81)85-41-49-13-25-77(26-14-49)32-20-69)61-39-62-54(7-10-66(82)86-42-50-15-27-78(28-16-50)33-21-70)46(3)58(74-62)37-60-52(5-8-64(80)84-40-48-11-23-76(24-12-48)31-19-68)45(2)59(73-60)38-63-55(47(4)57(75-63)36-56(44)72-61)35-67(83)87-43-51-17-29-79(30-18-51)34-22-71;1-38-46(4-5-53(76)81-34-41-6-18-72(19-7-41)26-14-64)58-56-57(63(80)84-37-44-12-24-75(25-13-44)29-17-67)60(77)47-30-45(68-59(47)56)31-51-54(61(78)82-35-42-8-20-73(21-9-42)27-15-65)40(3)50(69-51)33-52-55(39(2)49(70-52)32-48(38)71-58)62(79)83-36-43-10-22-74(23-11-43)28-16-66;1-41-50(5-7-59(77)81-38-45-10-22-73(23-11-45)29-17-65)55-36-54-48(4-6-58(76)80-37-44-8-20-72(21-9-44)28-16-64)32-49(68-54)33-56-60(62(78)82-39-46-12-24-74(25-13-46)30-18-66)43(3)53(70-56)35-57-61(42(2)52(71-57)34-51(41)69-55)63(79)83-40-47-14-26-75(27-15-47)31-19-67;;;/h11-18,23-30H,5-10,19-22,31-43,68-71H2,1-4H3;6-13,18-25,30-33,57H,4-5,14-17,26-29,34-37,64-67H2,1-3H3;8-15,20-27,32-36H,4-7,16-19,28-31,37-40,64-67H2,1-3H3;;;/q;5*+2/p+4/b;45-31?,48-32?,49-32?,50-33?,51-31?,52-33?,58-56-;;;;
InChIKeyJAYDZLVIPORVCH-RXKBMLHOSA-R
XLogP6.66
TPSA860.83 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds73
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003519.04
LogP ≤ 56.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate?
The IUPAC name of trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate (CID 158785396) is trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate.
What is the SMILES notation for trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate?
The canonical SMILES for trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate is CC1=C(C(=O)OCc2cc[n+](CCN)cc2)c2cc3cc4c([n-]3)c(c3[nH+]c(cc5[n-]c(cc1[nH+]2)c(C(=O)OCc1cc[n+](CCN)cc1)c5C)C(C)=C3CCC(=O)OCc1cc[n+](CCN)cc1)C(C(=O)OCc1cc[n+](CCN)cc1)C4=O.CC1=C(CCC(=O)OCc2cc[n+](CCN)cc2)c2cc3[n-]c(cc4[nH+]c(cc5[n-]c(cc1[nH+]2)c(C)c5C(=O)OCc1cc[n+](CCN)cc1)C(C)=C4C(=O)OCc1cc[n+](CCN)cc1)cc3CCC(=O)OCc1cc[n+](CCN)cc1.Cc1c2[n-]c(c1CCC(=O)OCc1cc[n+](CCN)cc1)Cc1[n-]c(c(CCC(=O)OCc3cc[n+](CCN)cc3)c1C)Cc1[n-]c(c(C)c1CCC(=O)OCc1cc[n+](CCN)cc1)Cc1[n-]c(c(CC(=O)OCc3cc[n+](CCN)cc3)c1C)C2.[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate?
The InChIKey is JAYDZLVIPORVCH-RXKBMLHOSA-R. The full InChI is InChI=1S/C67H82N12O8.C63H66N12O9.C63H70N12O8.3Mg/c1-44-53(6-9-65(81)85-41-49-13-25-77(26-14-49)32-20-69)61-39-62-54(7-10-66(82)86-42-50-15-27-78(28-16-50)33-21-70)46(3)58(74-62)37-60-52(5-8-64(80)84-40-48-11-23-76(24-12-48)31-19-68)45(2)59(73-60)38-63-55(47(4)57(75-63)36-56(44)72-61)35-67(83)87-43-51-17-29-79(30-18-51)34-22-71;1-38-46(4-5-53(76)81-34-41-6-18-72(19-7-41)26-14-64)58-56-57(63(80)84-37-44-12-24-75(25-13-44)29-17-67)60(77)47-30-45(68-59(47)56)31-51-54(61(78)82-35-42-8-20-73(21-9-42)27-15-65)40(3)50(69-51)33-52-55(39(2)49(70-52)32-48(38)71-58)62(79)83-36-43-10-22-74(23-11-43)28-16-66;1-41-50(5-7-59(77)81-38-45-10-22-73(23-11-45)29-17-65)55-36-54-48(4-6-58(76)80-37-44-8-20-72(21-9-44)28-16-64)32-49(68-54)33-56-60(62(78)82-39-46-12-24-74(25-13-46)30-18-66)43(3)53(70-56)35-57-61(42(2)52(71-57)34-51(41)69-55)63(79)83-40-47-14-26-75(27-15-47)31-19-67;;;/h11-18,23-30H,5-10,19-22,31-43,68-71H2,1-4H3;6-13,18-25,30-33,57H,4-5,14-17,26-29,34-37,64-67H2,1-3H3;8-15,20-27,32-36H,4-7,16-19,28-31,37-40,64-67H2,1-3H3;;;/q;5*+2/p+4/b;45-31?,48-32?,49-32?,50-33?,51-31?,52-33?,58-56-;;;;.
What are the key properties of trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate?
trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate has a molecular weight of 3519.04 g/mol, XLogP of 6.66, 73 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[7-[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12,18-tetramethyl-5,10,15,20-tetrahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoate;bis[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 13,17-bis[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-3,8,12-trimethylporphyrin-21,23-diium-22,24-diide-2,7-dicarboxylate;tris[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl] 22-[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-12,17,21-trimethyl-4-oxo-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19,21-undecaene-3,11,16-tricarboxylate is sourced from PubChem (CID 158785396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).