cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

C64H56CoF12N4 — CID 139142125

About cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (PubChem CID 139142125) has the molecular formula C64H56CoF12N4 and a molecular weight of 1168.09 g/mol. Its IUPAC name is cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

Molecular Properties

• Compound Name: cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• PubChem CID: 139142125
• Molecular Formula: C64H56CoF12N4
• Molecular Weight: 1168.09 g/mol
• Exact Mass: 1167.36
• IUPAC Name: cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• SMILES: CCc1c2[n-]c(c1CC)[C+](c1ccc(C(F)(F)F)cc1)c1[n-]c(c(CC)c1CC)[C+](c1ccc(C(F)(F)F)cc1)c1[n-]c(c(CC)c1CC)[C+](c1ccc(C(F)(F)F)cc1)c1[n-]c(c(CC)c1CC)[C+]2c1ccc(C(F)(F)F)cc1.[Co]
• InChI: InChI=1S/C64H56F12N4.Co/c1-9-41-42(10-2)54-50(34-19-27-38(28-20-34)62(68,69)70)56-45(13-5)46(14-6)58(79-56)52(36-23-31-40(32-24-36)64(74,75)76)60-48(16-8)47(15-7)59(80-60)51(35-21-29-39(30-22-35)63(71,72)73)57-44(12-4)43(11-3)55(78-57)49(53(41)77-54)33-17-25-37(26-18-33)61(65,66)67;/h17-32H,9-16H2,1-8H3
• InChIKey: VNJSCSZFTASPRW-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 56.40 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1168.09
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The IUPAC name of cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (CID 139142125) is cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

What is the SMILES notation for cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The canonical SMILES for cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is CCc1c2[n-]c(c1CC)[C+](c1ccc(C(F)(F)F)cc1)c1[n-]c(c(CC)c1CC)[C+](c1ccc(C(F)(F)F)cc1)c1[n-]c(c(CC)c1CC)[C+](c1ccc(C(F)(F)F)cc1)c1[n-]c(c(CC)c1CC)[C+]2c1ccc(C(F)(F)F)cc1.[Co].

What is the InChIKey of cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The InChIKey is VNJSCSZFTASPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56F12N4.Co/c1-9-41-42(10-2)54-50(34-19-27-38(28-20-34)62(68,69)70)56-45(13-5)46(14-6)58(79-56)52(36-23-31-40(32-24-36)64(74,75)76)60-48(16-8)47(15-7)59(80-60)51(35-21-29-39(30-22-35)63(71,72)73)57-44(12-4)43(11-3)55(78-57)49(53(41)77-54)33-17-25-37(26-18-33)61(65,66)67;/h17-32H,9-16H2,1-8H3;.

What are the key properties of cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide has a molecular weight of 1168.09 g/mol, XLogP of 16.48, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is sourced from PubChem (CID 139142125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).