Pt(II) meso-tetra (4-carboxyphenyl) porphine

Catalog Number	ACM94288456-1
CAS	94288-45-6
Synonyms	Platinum(2+);4-[10,15,20-tris(4-carboxyphenyl)porphyrin-22,24-diid-5-yl]benzoic acid
Molecular Weight	983.84
Molecular Formula	C48H28N4O8Pt
Canonical 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.[Pt+2]
InChI	InChI=1S/C48H30N4O8.Pt/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
InChI Key	NRXFLRJMHNYICF-UHFFFAOYSA-L
Melting Point	>300 ℃
Purity	95%
Complexity	1820
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	983.155508
Heavy Atom Count	61
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	4
Monoisotopic Mass	983.155508
Rotatable Bond Count	8
Topological Polar Surface Area	176 Ų