6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+))

C58H26Fe2N16 — CID 22833843

About 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+))

6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+)) (PubChem CID 22833843) has the molecular formula C58H26Fe2N16 and a molecular weight of 1058.65 g/mol. Its IUPAC name is 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+)).

Molecular Properties

• Compound Name: 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+))
• PubChem CID: 22833843
• Molecular Formula: C58H26Fe2N16
• Molecular Weight: 1058.65 g/mol
• Exact Mass: 1058.12
• IUPAC Name: 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+))
• SMILES: [Fe+2].[Fe+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1cc3c4nc5nc(nc6[n-]c(nc7nc(nc([n-]4)c3cc21)-c1ccccc1-7)c1ccccc61)-c1ccccc1-5
• InChI: InChI=1S/C58H26N16.2Fe/c1-2-14-28-27(13-1)43-59-44(28)62-48-32-18-6-10-22-36(32)52(66-48)70-56-40-26-42-41(25-39(40)55(73-56)69-51-35-21-9-5-17-31(35)47(61-43)65-51)57-71-53-37-23-11-7-19-33(37)49(67-53)63-45-29-15-3-4-16-30(29)46(60-45)64-50-34-20-8-12-24-38(34)54(68-50)72-58(42)74-57;;/h1-26H;;/q-4;2*+2
• InChIKey: OMXGGYILOFVZCO-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 211.08 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1058.65
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+))?

The IUPAC name of 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+)) (CID 22833843) is 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+)).

What is the SMILES notation for 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+))?

The canonical SMILES for 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+)) is [Fe+2].[Fe+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1cc3c4nc5nc(nc6[n-]c(nc7nc(nc([n-]4)c3cc21)-c1ccccc1-7)c1ccccc61)-c1ccccc1-5.

What is the InChIKey of 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+))?

The InChIKey is OMXGGYILOFVZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H26N16.2Fe/c1-2-14-28-27(13-1)43-59-44(28)62-48-32-18-6-10-22-36(32)52(66-48)70-56-40-26-42-41(25-39(40)55(73-56)69-51-35-21-9-5-17-31(35)47(61-43)65-51)57-71-53-37-23-11-7-19-33(37)49(67-53)63-45-29-15-3-4-16-30(29)46(60-45)64-50-34-20-8-12-24-38(34)54(68-50)72-58(42)74-57;;/h1-26H;;/q-4;2*+2.

What are the key properties of 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+))?

6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+)) has a molecular weight of 1058.65 g/mol, XLogP of 10.56, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6,15,24,33,39,48,57,66,68,70,72,74-dodecaza-67,69,71,73-tetrazanidaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1,3,5,7(74),8,10,12,14,16,18,20,22,24,26,28,30,32(72),33,35,37,39,41,43,45,47(70),48,50,52,54,56,58(68),59,61,63,65-pentatriacontaene;bis(iron(2+)) is sourced from PubChem (CID 22833843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).