tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate

C303H274Br31N29Na4O77 — CID 176547767

About tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate

tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate (PubChem CID 176547767) has the molecular formula C303H274Br31N29Na4O77 and a molecular weight of 8122.64 g/mol. Its IUPAC name is tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate.

Molecular Properties

• Compound Name: tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate
• PubChem CID: 176547767
• Molecular Formula: C303H274Br31N29Na4O77
• Molecular Weight: 8122.64 g/mol
• Exact Mass: 8088.27
• IUPAC Name: tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate
• SMILES: C.C.C=Cc1c(C)/c2[nH]/c1=C(/Br)C1=N/C(=C(/Br)C3=C(C)C(=C([O-])O)C(=N3)/C(CC(=O)NC(C[CH2-])C(=O)[O-])=C3\N=C(C(C)=C3CCC(=O)[O-])/C=2Br)C(CC)=C1C.C=Cc1c(C)c2[nH]c1c(Br)c1nc(c(Br)c3[nH]c(c(C)c3CCC(=O)O)c(Br)c3nc(c2Br)C2C=CC(C(=O)OC)=C(C(=O)OC)C32C)C(CCC(=O)OC)=C1C.C=Cc1c(C)c2[nH]c1c(Br)c1nc(c(Br)c3[nH]c(c(C)c3CCC(=O)OC)c(Br)c3nc(c2Br)C2C=CC(C(=O)OC)=C(C(=O)OC)C32C)C(CCC(=O)O)=C1C.COC(=O)CCC1=C(CC(=O)OC)c2nc1c(Br)c1[nH]c(c(Br)c3nc(c(Br)c4[nH]c(c2Br)c(CCC(=O)OC)c4CC(=O)OC)C(CCC(=O)OC)=C3CC(=O)OC)c(CCC(=O)OC)c1CC(=O)OC.COC(=O)CCC1=C(CC(=O)OC)c2nc1c(Br)c1nc(c(Br)c3[nH]c(c(CCC(=O)OC)c3CC(=O)OC)c(Br)c3[nH]c(c2Br)c(CC(=O)OC)c3CCOC(C)=O)C(CCC(=O)OC)=C1CC(=O)OC.O=C(O)CCC1=C(CC(=O)O)c2nc1c(Br)c1nc(c(Br)c3[nH]c(c(CCC(=O)O)c3CC(=O)O)c(Br)c3[nH]c(c2Br)c(CC(=O)O)c3CCC(=O)O)C(CCC(=O)O)=C1CC(=O)O.O=C=O.Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4[nH]c(c(Br)c4Br)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5[nH]c2c(Br)c5Br)C(Br)=C4Br)C(Br)=C3Br)c1.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/2C48H50Br4N4O16.C44H22Br8N4O4.2C41H38Br4N4O8.C40H34Br4N4O16.C38H37Br3N5O7.CO2.2CH4.4Na/c1-65-29(57)13-9-21-25(17-33(61)69-5)45-38(50)42-23(11-15-31(59)67-3)27(19-35(63)71-7)47(55-42)40(52)44-24(12-16-32(60)68-4)28(20-36(64)72-8)48(56-44)39(51)43-22(10-14-30(58)66-2)26(18-34(62)70-6)46(54-43)37(49)41(21)53-45;1-21(57)72-16-15-25-29(20-36(64)71-8)48-40(52)47-28(19-35(63)70-7)24(11-14-32(60)67-4)43(55-47)39(51)46-27(18-34(62)69-6)23(10-13-31(59)66-3)42(54-46)38(50)45-26(17-33(61)68-5)22(9-12-30(58)65-2)41(53-45)37(49)44(25)56-48;45-29-31(47)39-26(18-6-2-10-22(58)14-18)41-33(49)35(51)43(55-41)28(20-8-4-12-24(60)16-20)44-36(52)34(50)42(56-44)27(19-7-3-11-23(59)15-19)40-32(48)30(46)38(54-40)25(37(29)53-39)17-5-1-9-21(57)13-17;1-9-19-16(2)31-28(43)37-23-13-10-22(39(53)56-7)26(40(54)57-8)41(23,5)38(49-37)30(45)33-18(4)20(11-14-24(50)51)35(48-33)29(44)36-21(12-15-25(52)55-6)17(3)32(47-36)27(42)34(19)46-31;1-9-19-16(2)31-28(43)37-23-13-10-22(39(53)56-7)26(40(54)57-8)41(23,5)38(49-37)30(45)33-18(4)21(12-15-25(52)55-6)36(48-33)29(44)35-20(11-14-24(50)51)17(3)32(47-35)27(42)34(19)46-31;41-29-33-13(1-5-21(49)50)17(9-25(57)58)37(45-33)30(42)35-15(3-7-23(53)54)18(10-26(59)60)38(47-35)31(43)36-16(4-8-24(55)56)20(12-28(63)64)40(48-36)32(44)39-19(11-27(61)62)14(34(29)46-39)2-6-22(51)52;1-8-18-14(4)29-26(39)31-16(6)20(11-12-24(48)49)33(43-31)21(13-23(47)42-22(10-3)37(50)51)34-25(38(52)53)17(7)32(44-34)28(41)36-19(9-2)15(5)30(46-36)27(40)35(18)45-29;2-1-3;;;;;;/h2*53,56H,9-20H2,1-8H3;1-16,53,56-60H;2*9-10,13,23,46,48H,1,11-12,14-15H2,2-8H3,(H,50,51);45-46H,1-12H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64);8,22,45,52-53H,1,3,9-13H2,2,4-7H3,(H,42,47)(H,48,49)(H,50,51);;2*1H4;;;;/q;;;;;;-1;;;;4*+1/p-3/b41-37+,42-38+,43-39+,44-40+,45-38+,46-37+,47-40+,48-39+;41-37+,42-38+,43-39+,44-37+,45-38+,46-39+,47-40+,48-40+;37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,43-28-,44-28-;2*31-28+,32-27+,33-30+,34-27+,35-29+,36-29+,37-28+,38-30+;33-29+,34-29+,35-30+,36-31+,37-30+,38-31+,39-32+,40-32+;29-26+,33-21-,35-27+,36-28+
• InChIKey: SNKNQZQDVHTCOQ-OXOTWBQQSA-K
• XLogP: 50.26
• TPSA: 1616.34 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 82
• Rotatable Bonds: 92
• Heavy Atoms: 444
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	8122.64
LogP ≤ 5	50.26
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	82

Frequently Asked Questions

What is the IUPAC name of tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate?

The IUPAC name of tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate (CID 176547767) is tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate.

What is the SMILES notation for tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate?

The canonical SMILES for tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate is C.C.C=Cc1c(C)/c2[nH]/c1=C(/Br)C1=N/C(=C(/Br)C3=C(C)C(=C([O-])O)C(=N3)/C(CC(=O)NC(C[CH2-])C(=O)[O-])=C3\N=C(C(C)=C3CCC(=O)[O-])/C=2Br)C(CC)=C1C.C=Cc1c(C)c2[nH]c1c(Br)c1nc(c(Br)c3[nH]c(c(C)c3CCC(=O)O)c(Br)c3nc(c2Br)C2C=CC(C(=O)OC)=C(C(=O)OC)C32C)C(CCC(=O)OC)=C1C.C=Cc1c(C)c2[nH]c1c(Br)c1nc(c(Br)c3[nH]c(c(C)c3CCC(=O)OC)c(Br)c3nc(c2Br)C2C=CC(C(=O)OC)=C(C(=O)OC)C32C)C(CCC(=O)O)=C1C.COC(=O)CCC1=C(CC(=O)OC)c2nc1c(Br)c1[nH]c(c(Br)c3nc(c(Br)c4[nH]c(c2Br)c(CCC(=O)OC)c4CC(=O)OC)C(CCC(=O)OC)=C3CC(=O)OC)c(CCC(=O)OC)c1CC(=O)OC.COC(=O)CCC1=C(CC(=O)OC)c2nc1c(Br)c1nc(c(Br)c3[nH]c(c(CCC(=O)OC)c3CC(=O)OC)c(Br)c3[nH]c(c2Br)c(CC(=O)OC)c3CCOC(C)=O)C(CCC(=O)OC)=C1CC(=O)OC.O=C(O)CCC1=C(CC(=O)O)c2nc1c(Br)c1nc(c(Br)c3[nH]c(c(CCC(=O)O)c3CC(=O)O)c(Br)c3[nH]c(c2Br)c(CC(=O)O)c3CCC(=O)O)C(CCC(=O)O)=C1CC(=O)O.O=C=O.Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4[nH]c(c(Br)c4Br)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5[nH]c2c(Br)c5Br)C(Br)=C4Br)C(Br)=C3Br)c1.[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate?

The InChIKey is SNKNQZQDVHTCOQ-OXOTWBQQSA-K. The full InChI is InChI=1S/2C48H50Br4N4O16.C44H22Br8N4O4.2C41H38Br4N4O8.C40H34Br4N4O16.C38H37Br3N5O7.CO2.2CH4.4Na/c1-65-29(57)13-9-21-25(17-33(61)69-5)45-38(50)42-23(11-15-31(59)67-3)27(19-35(63)71-7)47(55-42)40(52)44-24(12-16-32(60)68-4)28(20-36(64)72-8)48(56-44)39(51)43-22(10-14-30(58)66-2)26(18-34(62)70-6)46(54-43)37(49)41(21)53-45;1-21(57)72-16-15-25-29(20-36(64)71-8)48-40(52)47-28(19-35(63)70-7)24(11-14-32(60)67-4)43(55-47)39(51)46-27(18-34(62)69-6)23(10-13-31(59)66-3)42(54-46)38(50)45-26(17-33(61)68-5)22(9-12-30(58)65-2)41(53-45)37(49)44(25)56-48;45-29-31(47)39-26(18-6-2-10-22(58)14-18)41-33(49)35(51)43(55-41)28(20-8-4-12-24(60)16-20)44-36(52)34(50)42(56-44)27(19-7-3-11-23(59)15-19)40-32(48)30(46)38(54-40)25(37(29)53-39)17-5-1-9-21(57)13-17;1-9-19-16(2)31-28(43)37-23-13-10-22(39(53)56-7)26(40(54)57-8)41(23,5)38(49-37)30(45)33-18(4)20(11-14-24(50)51)35(48-33)29(44)36-21(12-15-25(52)55-6)17(3)32(47-36)27(42)34(19)46-31;1-9-19-16(2)31-28(43)37-23-13-10-22(39(53)56-7)26(40(54)57-8)41(23,5)38(49-37)30(45)33-18(4)21(12-15-25(52)55-6)36(48-33)29(44)35-20(11-14-24(50)51)17(3)32(47-35)27(42)34(19)46-31;41-29-33-13(1-5-21(49)50)17(9-25(57)58)37(45-33)30(42)35-15(3-7-23(53)54)18(10-26(59)60)38(47-35)31(43)36-16(4-8-24(55)56)20(12-28(63)64)40(48-36)32(44)39-19(11-27(61)62)14(34(29)46-39)2-6-22(51)52;1-8-18-14(4)29-26(39)31-16(6)20(11-12-24(48)49)33(43-31)21(13-23(47)42-22(10-3)37(50)51)34-25(38(52)53)17(7)32(44-34)28(41)36-19(9-2)15(5)30(46-36)27(40)35(18)45-29;2-1-3;;;;;;/h2*53,56H,9-20H2,1-8H3;1-16,53,56-60H;2*9-10,13,23,46,48H,1,11-12,14-15H2,2-8H3,(H,50,51);45-46H,1-12H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64);8,22,45,52-53H,1,3,9-13H2,2,4-7H3,(H,42,47)(H,48,49)(H,50,51);;2*1H4;;;;/q;;;;;;-1;;;;4*+1/p-3/b41-37+,42-38+,43-39+,44-40+,45-38+,46-37+,47-40+,48-39+;41-37+,42-38+,43-39+,44-37+,45-38+,46-39+,47-40+,48-40+;37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,43-28-,44-28-;2*31-28+,32-27+,33-30+,34-27+,35-29+,36-29+,37-28+,38-30+;33-29+,34-29+,35-30+,36-31+,37-30+,38-31+,39-32+,40-32+;29-26+,33-21-,35-27+,36-28+;;;;;;;.

What are the key properties of tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate?

tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate has a molecular weight of 8122.64 g/mol, XLogP of 50.26, 92 rotatable bonds, 29 hydrogen bond donors, and 82 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;carbon dioxide;methane;methyl 3-[18-(2-acetyloxyethyl)-5,10,15,20-tetrabromo-3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-7,12-bis(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate;methyl 3-[5,10,15,20-tetrabromo-3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoate;3-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-9-yl]propanoic acid;3-[2,7,12,17-tetrabromo-14-ethenyl-22,23-bis(methoxycarbonyl)-9-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,22-dodecaen-5-yl]propanoic acid;3-[5,10,15,20-tetrabromo-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid;2-[[2-[10,15,20-tribromo-7-(2-carboxylatoethyl)-13-ethenyl-18-ethyl-3-[hydroxy(oxido)methylidene]-2,8,12,17-tetramethyl-23H-porphyrin-5-yl]acetyl]amino]butanoate is sourced from PubChem (CID 176547767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).