tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

C56H52Cl8N4O8Zn — CID 139073798

About tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc

tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (PubChem CID 139073798) has the molecular formula C56H52Cl8N4O8Zn and a molecular weight of 1258.07 g/mol. Its IUPAC name is tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.

Molecular Properties

• Compound Name: tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
• PubChem CID: 139073798
• Molecular Formula: C56H52Cl8N4O8Zn
• Molecular Weight: 1258.07 g/mol
• Exact Mass: 1252.06
• IUPAC Name: tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
• SMILES: COc1cccc(OC)c1[C+]1c2ccc([n-]2)[C+](c2c(OC)cccc2OC)c2ccc([n-]2)[C+](c2c(OC)cccc2OC)c2ccc([n-]2)[C+](c2c(OC)cccc2OC)c2ccc1[n-]2.ClCCl.ClCCl.ClCCl.ClCCl.[Zn]
• InChI: InChI=1S/C52H44N4O8.4CH2Cl2.Zn/c1-57-37-13-9-14-38(58-2)49(37)45-29-21-23-31(53-29)46(50-39(59-3)15-10-16-40(50)60-4)33-25-27-35(55-33)48(52-43(63-7)19-12-20-44(52)64-8)36-28-26-34(56-36)47(32-24-22-30(45)54-32)51-41(61-5)17-11-18-42(51)62-6;4*2-1-3;/h9-28H,1-8H3;4*1H2
• InChIKey: QCWJGPMNGQUVIY-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 130.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1258.07
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?

The IUPAC name of tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc (CID 139073798) is tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc.

What is the SMILES notation for tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?

The canonical SMILES for tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is COc1cccc(OC)c1[C+]1c2ccc([n-]2)[C+](c2c(OC)cccc2OC)c2ccc([n-]2)[C+](c2c(OC)cccc2OC)c2ccc([n-]2)[C+](c2c(OC)cccc2OC)c2ccc1[n-]2.ClCCl.ClCCl.ClCCl.ClCCl.[Zn].

What is the InChIKey of tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?

The InChIKey is QCWJGPMNGQUVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N4O8.4CH2Cl2.Zn/c1-57-37-13-9-14-38(58-2)49(37)45-29-21-23-31(53-29)46(50-39(59-3)15-10-16-40(50)60-4)33-25-27-35(55-33)48(52-43(63-7)19-12-20-44(52)64-8)36-28-26-34(56-36)47(32-24-22-30(45)54-32)51-41(61-5)17-11-18-42(51)62-6;4*2-1-3;/h9-28H,1-8H3;4*1H2;.

What are the key properties of tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc?

tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc has a molecular weight of 1258.07 g/mol, XLogP of 13.66, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(dichloromethane);5,10,15,20-tetrakis(2,6-dimethoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc is sourced from PubChem (CID 139073798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).