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

Catalog Number	ACM14074807-5
CAS	14074-80-7
Structure
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
Monoisotopic Mass	676.160539
Rotatable Bond Count	4
Topological Polar Surface Area	26.7 Ų