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Cu (II) MTCPP

CAT: 0013-GTR19281112-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281112-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cu (II) MTCPP is a copper coordination complex. Cu (II) MTCPP-sensitized TiO2 nanotubes serve as a visible light photocatalyst, broadening the wavelength response range and more efficiently transporting excited electrons while separating photogenerated electron-hole pairs.
CAS Number
41699-93-8
Smiles
O=C (C1=CC=C (C2=C3C=CC (C (C4=CC=C (C ([O-]) =O) C=C4) =C5C=CC6=C7C8=CC=C (C ([O-]) =O) C=C8) =[N]3[Cu+2]9 ([N-]56) [N-]%10C2=CC=C%10C (C%11=CC=C (C ([O-]) =O) C=C%11) =C%12C=CC7=[N]9%12) C=C1) [O-].[H+].[H+].[H+].[H+]
Molecular Formula
C48H28CuN4O8
Molecular Weight
852.32
Notes
For research use only.

Chemical Information

CU(II) Meso-tetra(4-carboxyphenyl)porphine
CAS Number41699-93-8
PubChem CID14390189
IUPAC Namecopper 4-[10,15,20-tris(4-carboxyphenyl)porphyrin-22,24-diid-5-yl]benzoic acid
Molecular FormulaC48H28CuN4O8
Molecular Weight852.3
Topological Polar Surface Area176
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count61
Formal Charge0
Complexity1820
SMILES
C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)[N-]3)C(=O)O.[Cu+2]
InChI
InChI=1S/C48H30N4O8.Cu/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58;/h1-24H,(H6,49,50,51,52,53,54,55,56,57,58,59,60);/q;+2/p-2
InChIKey
JFJHHBUSDSQBFW-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of CU(II) Meso-tetra(4-carboxyphenyl)porphine
CAS: 41699-93-8
CID: 14390189
Formula: C48H28CuN4O8
MW: 852.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight852.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass851.120311
Monoisotopic Mass851.120311
Topological Polar Surface Area176 Ų
Heavy Atom Count61
Formal Charge0
Complexity1820
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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