zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc

C102H76N14O10Zn3-6 — CID 58820704

About zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc

zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc (PubChem CID 58820704) has the molecular formula C102H76N14O10Zn3-6 and a molecular weight of 1853.99 g/mol. Its IUPAC name is zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc.

Molecular Properties

• Compound Name: zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc
• PubChem CID: 58820704
• Molecular Formula: C102H76N14O10Zn3-6
• Molecular Weight: 1853.99 g/mol
• Exact Mass: 1848.38
• IUPAC Name: zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc
• SMILES: [CH2-]c1c2nc(c3c4ccc([n-]4)c(C#CC#CC)c4nc(c(c5ccc1[n-]5)CCC(=O)OC/C=C/COC(=O)CCc1c5nc(c(C#CC#Cc6c7nc(c(CCC(C)=O)c8ccc([n-]8)c(-n8ccnc8)c8nc(c(CCC(C)=O)c9ccc6[n-]9)C=C8)C=C7)c6ccc([n-]6)c(c6nc(c([CH2-])c7ccc1[n-]7)C=C6)CCC(=O)OC/C=C\COC(=O)CC3)C=C5)C=C4)C=C2.[Zn+2].[Zn].[Zn]
• InChI: InChI=1S/C102H76N14O10.3Zn/c1-6-7-8-15-65-78-36-42-90(110-78)70-22-50-98(119)123-56-11-13-58-125-100(121)52-24-72-86-32-28-76(106-86)64(5)77-29-33-87(107-77)73(25-53-101(122)126-59-14-12-57-124-99(120)51-23-71(91-43-37-79(65)111-91)85-31-27-75(105-85)63(4)74-26-30-84(70)104-74)93-45-39-83(113-93)67(82-38-44-92(72)112-82)17-10-9-16-66-80-34-40-88(108-80)68(20-18-61(2)117)94-46-48-96(114-94)102(116-55-54-103-60-116)97-49-47-95(115-97)69(21-19-62(3)118)89-41-35-81(66)109-89;;;/h11-14,26-49,54-55,60H,4-5,18-25,50-53,56-59H2,1-3H3;;;/q-8;;;+2/b13-11-,14-12+,74-63-,75-63-,76-64-,77-64+,78-65-,79-65-,80-66-,81-66-,82-67-,83-67-,84-70-,85-71+,86-72-,87-73-,88-68-,89-69-,90-70-,91-71-,92-72-,93-73-,94-68-,95-69-,102-96+,102-97+
• InChIKey: UHQCPXMSRYOXMO-BWGJFIJOSA-N
• XLogP: 14.46
• TPSA: 319.10 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.99
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc?

The IUPAC name of zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc (CID 58820704) is zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc.

What is the SMILES notation for zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc?

The canonical SMILES for zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc is [CH2-]c1c2nc(c3c4ccc([n-]4)c(C#CC#CC)c4nc(c(c5ccc1[n-]5)CCC(=O)OC/C=C/COC(=O)CCc1c5nc(c(C#CC#Cc6c7nc(c(CCC(C)=O)c8ccc([n-]8)c(-n8ccnc8)c8nc(c(CCC(C)=O)c9ccc6[n-]9)C=C8)C=C7)c6ccc([n-]6)c(c6nc(c([CH2-])c7ccc1[n-]7)C=C6)CCC(=O)OC/C=C\COC(=O)CC3)C=C5)C=C4)C=C2.[Zn+2].[Zn].[Zn].

What is the InChIKey of zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc?

The InChIKey is UHQCPXMSRYOXMO-BWGJFIJOSA-N. The full InChI is InChI=1S/C102H76N14O10.3Zn/c1-6-7-8-15-65-78-36-42-90(110-78)70-22-50-98(119)123-56-11-13-58-125-100(121)52-24-72-86-32-28-76(106-86)64(5)77-29-33-87(107-77)73(25-53-101(122)126-59-14-12-57-124-99(120)51-23-71(91-43-37-79(65)111-91)85-31-27-75(105-85)63(4)74-26-30-84(70)104-74)93-45-39-83(113-93)67(82-38-44-92(72)112-82)17-10-9-16-66-80-34-40-88(108-80)68(20-18-61(2)117)94-46-48-96(114-94)102(116-55-54-103-60-116)97-49-47-95(115-97)69(21-19-62(3)118)89-41-35-81(66)109-89;;;/h11-14,26-49,54-55,60H,4-5,18-25,50-53,56-59H2,1-3H3;;;/q-8;;;+2/b13-11-,14-12+,74-63-,75-63-,76-64-,77-64+,78-65-,79-65-,80-66-,81-66-,82-67-,83-67-,84-70-,85-71+,86-72-,87-73-,88-68-,89-69-,90-70-,91-71-,92-72-,93-73-,94-68-,95-69-,102-96+,102-97+;;;.

What are the key properties of zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc?

zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc has a molecular weight of 1853.99 g/mol, XLogP of 14.46, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;(7E,30E)-19-[4-[15-imidazol-1-yl-10,20-bis(3-oxobutyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-42,64-dimethanidyl-51-penta-1,3-diynyl-5,10,28,33-tetraoxa-56,58,69,71-tetraza-57,59,70,72-tetrazanidaundecacyclo[35.9.9.914,24.115,18.120,23.138,41.143,46.147,50.152,55.160,63.165,68]doheptaconta-1(46),7,14(68),15,17,19,21,23(69),24(60),30,37,39,41,43(58),44,47,49,51,53,55,61,63,65(71),66-tetracosaene-4,11,27,34-tetrone;zinc is sourced from PubChem (CID 58820704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).