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5,10,15,20-Tetraphenyl-21H,23H-porphine zinc

Catalog NumberACM14074807-5

CAS Number14074-80-7

CategoryOther Materials

5,10,15,20-Tetraphenyl-21H,23H-porphine zinc
Synonyms
Zinc meso-tetraphenylporphine
IUPAC Name
zinc;5,10,15,20-tetraphenylporphyrin-22,24-diide
Molecular Weight
678.1
Molecular Formula
C44H28N4Zn
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.[Zn+2]
InChI
InChI=1S/C44H28N4.Zn/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
XPVVGUHKLPZAEN-UHFFFAOYSA-N
Melting Point
>350 °C
Purity
95%+
Appearance
Crystal
Complexity
1330
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
EC Number
604-199-0
Exact Mass
676.160539
Formal Charge
0
Heavy Atom Count
49
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
MeSH Entry Terms
zinc tetraphenylporphine;Zn-TPP
Monoisotopic Mass
676.160539
Rotatable Bond Count
4
Topological Polar Surface Area
26.7 Ų
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