CAS 95051-10-8 5-(4-CArboxyphenyl)-10,15,20-triphenylporphyrin

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5-(4-CArboxyphenyl)-10,15,20-triphenylporphyrin

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Catalog Number

ACM95051108-1

Product Name

5-(4-CArboxyphenyl)-10,15,20-triphenylporphyrin

Structure

CAS

95051-10-8

Category

Ligands for Functional Metal Complexes

Synonyms

5-(4-Carboxyphenyl)-10,15,20-triphenyl-21H,23H-porphine

Description

Alfa Chemistry offers 5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.

IUPAC Name

4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoic acid

Molecular Weight

658.76

Molecular Formula

C45H30N4O2

Canonical SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=CC=C9)N3

InChI

GZTMFXHPFNRUNU-UHFFFAOYSA-N

InChI Key

InChI=1S/C45H30N4O2/c50-45(51)32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H,(H,50,51)

Melting Point

>300 °C

Purity

>98.0%(HPLC)

Appearance

Dark purple powder to crystal

Application

The porphyrin metal complexes are important in-vivo, because they are included in chlorophyll functioning photo absorption and photo electron transfer for photosynthesis, and also included in heme transporting oxygen in blood. In addition, porphyrinato metal complexes are useful for photoelectron functional materials, metal complex catalysts and molecular electrical conductors.

Complexity

1140

Covalently-Bonded Unit Count

Exact Mass

658.23687621

Features And Benefits

Chemical modifications of substituted groups, metal centers, and axial ligands on the porphyrinato metal complexes show various functionalities. Normal porphyrin complexes have sharp absorptions, around 400-500 nm, and the Q band around 500-700 nm which is a relatively weak absorption. Molar absorption coefficients of the Soret band are up to the order of 106 M/cm. The chlorophyll and porphyrinato zinc complexes hardly show energy relaxation of absorbed light, but easily show photoelectron transfer.

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

MDL Number

MFCD01366156

Monoisotopic Mass

658.23687621

Rotatable Bond Count

Storage Conditions

Store at room temperature and dry

Topological Polar Surface Area

94.7 Å²