CAS 14705-63-6 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide

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5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide

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Catalog Number

ACM14705636-1

CAS Number

14705-63-6

Product Name

5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide

Structure

Category

Other Materials

Synonyms

Vanadyl (IV) mesotetraphenylporphine

IUPAC Name

oxovanadium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;

Molecular Weight

679.7

Molecular Formula

C44H28N4OV

Canonical SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O=[V+2]

InChI

InChI=1S/C44H28N4.O.V/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2

InChI Key

WDCQRRQLLCXEFB-UHFFFAOYSA-N

Appearance

Crystalline

Complexity

1360

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

679.170269

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

679.170269

Rotatable Bond Count

Topological Polar Surface Area

43.8 Å²

MSDS

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COA

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Spec Sheet

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