Pentamethylenebis[4-(10,15,20-triphenylporphyrin-5-yl)benzoate]dizinc(II)

Catalog Number	ACM210769645
CAS	210769-64-5
Synonyms	1,5-Bis[4-(10,15,20-triphenylporphyrin-5-yl)benzoyloxy]pentane dizinc(II)
Molecular Weight	1512.39
Molecular Formula	C95H64N8O4Zn2
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=C(C=C8)C(=O)OCCCCCOC(=O)C9=CC=C(C=C9)C1=C2C=CC(=N2)C(=C2C=CC(=C(C5=NC(=C(C6=CC=C1[N-]6)C1=CC=CC=C1)C=C5)C1=CC=CC=C1)[N-]2)C1=CC=CC=C1)C=C4)C1=CC=CC=C1)[N-]3.[Zn+2].[Zn+2]
InChI	InChI=1S/C95H66N8O4.2Zn/c104-94(68-38-34-66(35-39-68)92-82-54-50-78(100-82)88(62-26-12-3-13-27-62)74-46-42-70(96-74)86(60-22-8-1-9-23-60)71-43-47-75(97-71)89(63-28-14-4-15-29-63)79-51-55-83(92)101-79)106-58-20-7-21-59-107-95(105)69-40-36-67(37-41-69)93-84-56-52-80(102-84)90(64-30-16-5-17-31-64)76-48-44-72(98-76)87(61-24-10-2-11-25-61)73-45-49-77(99-73)91(65-32-18-6-19-33-65)81-53-57-85(93)103-81;/h1-6,8-19,22-57H,7,20-21,58-59H2,(H2-2,96,97,98,99,100,101,102,103,104,105);/q-2;2*+2/p-2
InChI Key	NBWTUFLOLJEGJZ-UHFFFAOYSA-L
Purity	97%
Complexity	2450
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	1511.36358
Heavy Atom Count	109
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1508.36334
Rotatable Bond Count	18
Topological Polar Surface Area	108 Ų