zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc

C74H72N8O8Zn2 — CID 22835176

IUPACzinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc
SMILESCOC(=O)CCC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CCC(=O)OC)c5C)C(/C=C/c1ccc(/C=C/C2=C(C)c5cc6cc(C)c(cc7nc(cc8[nH]c(cc2n5)c(C)c8CCC(=O)OC)C(CCC(=O)OC)=C7C)[nH]6)cc1)=C4C)cc3C.[Zn+2].[Zn]
InChIInChI=1S/C74H72N8O8.2Zn/c1-39-29-49-31-59-41(3)51(65(77-59)35-63-45(7)55(23-27-73(85)89-11)69(81-63)37-67-53(21-25-71(83)87-9)43(5)61(79-67)33-57(39)75-49)19-17-47-13-15-48(16-14-47)18-20-52-42(4)60-32-50-30-40(2)58(76-50)34-62-44(6)54(22-26-72(84)88-10)68(80-62)38-70-56(24-28-74(86)90-12)46(8)64(82-70)36-66(52)78-60;;/h13-20,29-38H,21-28H2,1-12H3,(H2-2,75,76,77,78,79,80,81,82);;/q-2;;+2/b49-31-,50-32-,57-33-,58-34-,59-31-,60-32-,61-33-,62-34-,63-35-,64-36-,65-35-,66-36-,67-37-,68-38-,69-37-,70-38-;;
InChIKeyINKFDOKYLHGDAS-QZPFIFLJSA-N
MW1332.22 g/mol
LogP14.70
Rot. Bonds16

About zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc

zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc (PubChem CID 22835176) has the molecular formula C74H72N8O8Zn2 and a molecular weight of 1332.22 g/mol. Its IUPAC name is zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc.

Molecular Properties

Compound Namezinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc
PubChem CID22835176
Molecular FormulaC74H72N8O8Zn2
Molecular Weight1332.22 g/mol
Exact Mass1328.41
IUPAC Namezinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc
SMILESCOC(=O)CCC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CCC(=O)OC)c5C)C(/C=C/c1ccc(/C=C/C2=C(C)c5cc6cc(C)c(cc7nc(cc8[nH]c(cc2n5)c(C)c8CCC(=O)OC)C(CCC(=O)OC)=C7C)[nH]6)cc1)=C4C)cc3C.[Zn+2].[Zn]
InChIInChI=1S/C74H72N8O8.2Zn/c1-39-29-49-31-59-41(3)51(65(77-59)35-63-45(7)55(23-27-73(85)89-11)69(81-63)37-67-53(21-25-71(83)87-9)43(5)61(79-67)33-57(39)75-49)19-17-47-13-15-48(16-14-47)18-20-52-42(4)60-32-50-30-40(2)58(76-50)34-62-44(6)54(22-26-72(84)88-10)68(80-62)38-70-56(24-28-74(86)90-12)46(8)64(82-70)36-66(52)78-60;;/h13-20,29-38H,21-28H2,1-12H3,(H2-2,75,76,77,78,79,80,81,82);;/q-2;;+2/b49-31-,50-32-,57-33-,58-34-,59-31-,60-32-,61-33-,62-34-,63-35-,64-36-,65-35-,66-36-,67-37-,68-38-,69-37-,70-38-;;
InChIKeyINKFDOKYLHGDAS-QZPFIFLJSA-N
XLogP14.70
TPSA216.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.22
LogP ≤ 514.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc with MolForge

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Related Compounds

zinc methyl 3-[7,12-bis[(E)-2-(4-ethenylphenyl)ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate
CID 10533616
methyl 3-[7-[(E)-2-(4-ethenylphenyl)ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
CID 10604973
iron(2+);methyl 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate
CID 171040619
copper methyl 3-[8,13,17-tris(3-methoxy-3-oxopropyl)-3,7,12,18-tetramethylporphyrin-21,23-diid-2-yl]propanoate
CID 636312
zinc ethyl 3-[18-(3-ethoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate
CID 3777771
methyl 3-[17-cyano-8,12-bis(3-methoxy-3-oxopropyl)-3,7,13-trimethyl-21,24-dihydroporphyrin-2-yl]propanoate
CID 23258165
methyl 3-[8-(2,2-difluoroethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
CID 15432408
methyl 3-[13,17-diethyl-8-(3-methoxy-3-oxopropyl)-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate
CID 11801640
zinc methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-7,12-bis(oxiran-2-ylmethyl)porphyrin-21,23-diid-2-yl]propanoate
CID 10771098
methyl 3-[7-(2-chloroethyl)-17-ethyl-13-(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate
CID 46222717
zinc methyl 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis(oxiran-2-ylmethyl)porphyrin-22,23-diid-2-yl]propanoate
CID 15970024
ruthenium(3+);3-[8,12,18-tris(2-carboxyethyl)-3,7,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid
CID 11422811

Frequently Asked Questions

What is the IUPAC name of zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc?
The IUPAC name of zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc (CID 22835176) is zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc.
What is the SMILES notation for zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc?
The canonical SMILES for zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc is COC(=O)CCC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CCC(=O)OC)c5C)C(/C=C/c1ccc(/C=C/C2=C(C)c5cc6cc(C)c(cc7nc(cc8[nH]c(cc2n5)c(C)c8CCC(=O)OC)C(CCC(=O)OC)=C7C)[nH]6)cc1)=C4C)cc3C.[Zn+2].[Zn].
What is the InChIKey of zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc?
The InChIKey is INKFDOKYLHGDAS-QZPFIFLJSA-N. The full InChI is InChI=1S/C74H72N8O8.2Zn/c1-39-29-49-31-59-41(3)51(65(77-59)35-63-45(7)55(23-27-73(85)89-11)69(81-63)37-67-53(21-25-71(83)87-9)43(5)61(79-67)33-57(39)75-49)19-17-47-13-15-48(16-14-47)18-20-52-42(4)60-32-50-30-40(2)58(76-50)34-62-44(6)54(22-26-72(84)88-10)68(80-62)38-70-56(24-28-74(86)90-12)46(8)64(82-70)36-66(52)78-60;;/h13-20,29-38H,21-28H2,1-12H3,(H2-2,75,76,77,78,79,80,81,82);;/q-2;;+2/b49-31-,50-32-,57-33-,58-34-,59-31-,60-32-,61-33-,62-34-,63-35-,64-36-,65-35-,66-36-,67-37-,68-38-,69-37-,70-38-;;.
What are the key properties of zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc?
zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc has a molecular weight of 1332.22 g/mol, XLogP of 14.70, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;methyl 3-[7-[(E)-2-[4-[(E)-2-[13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethenyl]phenyl]ethenyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate;zinc is sourced from PubChem (CID 22835176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).