5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

C56H52N4O12Zn — CID 139144653

About 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (PubChem CID 139144653) has the molecular formula C56H52N4O12Zn and a molecular weight of 1038.44 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.

Molecular Properties

• Compound Name: 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
• PubChem CID: 139144653
• Molecular Formula: C56H52N4O12Zn
• Molecular Weight: 1038.44 g/mol
• Exact Mass: 1036.29
• IUPAC Name: 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
• SMILES: COc1cc([C+]2c3ccc([n-]3)[C+](c3cc(OC)c(OC)c(OC)c3)c3ccc([n-]3)[C+](c3cc(OC)c(OC)c(OC)c3)c3ccc([n-]3)[C+](c3cc(OC)c(OC)c(OC)c3)c3ccc2[n-]3)cc(OC)c1OC.[Zn]
• InChI: InChI=1S/C56H52N4O12.Zn/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6;/h13-28H,1-12H3
• InChIKey: URJFXOZWJNUNPM-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 167.16 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1038.44
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?

The IUPAC name of 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (CID 139144653) is 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.

What is the SMILES notation for 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?

The canonical SMILES for 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is COc1cc([C+]2c3ccc([n-]3)[C+](c3cc(OC)c(OC)c(OC)c3)c3ccc([n-]3)[C+](c3cc(OC)c(OC)c(OC)c3)c3ccc([n-]3)[C+](c3cc(OC)c(OC)c(OC)c3)c3ccc2[n-]3)cc(OC)c1OC.[Zn].

What is the InChIKey of 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?

The InChIKey is URJFXOZWJNUNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52N4O12.Zn/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6;/h13-28H,1-12H3;.

What are the key properties of 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?

5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc has a molecular weight of 1038.44 g/mol, XLogP of 8.01, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is sourced from PubChem (CID 139144653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).