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

C45H10Cl2F20N4OV — CID 139056325

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

dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+) (PubChem CID 139056325) has the molecular formula C45H10Cl2F20N4OV and a molecular weight of 1124.41 g/mol. Its IUPAC name is dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+).

Molecular Properties

• Compound Name: dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+)
• PubChem CID: 139056325
• Molecular Formula: C45H10Cl2F20N4OV
• Molecular Weight: 1124.41 g/mol
• Exact Mass: 1122.94
• IUPAC Name: dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+)
• SMILES: ClCCl.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.[O-2].[V+2]
• InChI: InChI=1S/C44H8F20N4.CH2Cl2.O.V/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;2-1-3;;/h1-8H;1H2;;/q;;-2;+2
• InChIKey: FKCYDWGSEPRREM-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 84.90 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.41
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+)?

The IUPAC name of dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+) (CID 139056325) is dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+).

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

The canonical SMILES for dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+) is ClCCl.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.[O-2].[V+2].

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

The InChIKey is FKCYDWGSEPRREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H8F20N4.CH2Cl2.O.V/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;2-1-3;;/h1-8H;1H2;;/q;;-2;+2.

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

dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+) has a molecular weight of 1124.41 g/mol, XLogP of 11.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;oxygen(2-);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;vanadium(2+) is sourced from PubChem (CID 139056325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).