copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

C44H8CuF20N4 — CID 139040016

About copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (PubChem CID 139040016) has the molecular formula C44H8CuF20N4 and a molecular weight of 1036.08 g/mol. Its IUPAC name is copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

Molecular Properties

• Compound Name: copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• PubChem CID: 139040016
• Molecular Formula: C44H8CuF20N4
• Molecular Weight: 1036.08 g/mol
• Exact Mass: 1034.97
• IUPAC Name: copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• SMILES: Fc1c(F)c(F)c([C+]2c3ccc([n-]3)[C+](c3c(F)c(F)c(F)c(F)c3F)c3ccc([n-]3)[C+](c3c(F)c(F)c(F)c(F)c3F)c3ccc([n-]3)[C+](c3c(F)c(F)c(F)c(F)c3F)c3ccc2[n-]3)c(F)c1F.[Cu]
• InChI: InChI=1S/C44H8F20N4.Cu/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;/h1-8H
• InChIKey: ONVHMZULFDYEDJ-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 56.40 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1036.08
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The IUPAC name of copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (CID 139040016) is copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

What is the SMILES notation for copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The canonical SMILES for copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is Fc1c(F)c(F)c([C+]2c3ccc([n-]3)[C+](c3c(F)c(F)c(F)c(F)c3F)c3ccc([n-]3)[C+](c3c(F)c(F)c(F)c(F)c3F)c3ccc([n-]3)[C+](c3c(F)c(F)c(F)c(F)c3F)c3ccc2[n-]3)c(F)c1F.[Cu].

What is the InChIKey of copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The InChIKey is ONVHMZULFDYEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H8F20N4.Cu/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;/h1-8H;.

What are the key properties of copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide has a molecular weight of 1036.08 g/mol, XLogP of 10.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is sourced from PubChem (CID 139040016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).