Zntptbp

Catalog Number	ACM80529824
CAS	80529-82-4
Synonyms	29H,31H-Tetrabenzo[b,g,l,q]porphine, 6,13,20,27-tetraphenyl-, zinc complex
Molecular Weight	880.3
Molecular Formula	C60H38N4Zn
Canonical SMILES	C1=CC=C(C=C1)C2=C3C4=CC=CC=C4C(=C(C5=NC(=C(C6=C7C=CC=CC7=C(N6)C(=C8C9=CC=CC=C9C2=N8)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C15)C1=CC=CC=C1)N3.[Zn]
InChI	InChI=1S/C60H38N4.Zn/c1-5-21-37(22-6-1)49-53-41-29-13-15-31-43(41)55(61-53)50(38-23-7-2-8-24-38)57-45-33-17-19-35-47(45)59(63-57)52(40-27-11-4-12-28-40)60-48-36-20-18-34-46(48)58(64-60)51(39-25-9-3-10-26-39)56-44-32-16-14-30-42(44)54(49)62-56;/h1-36,61,64H;
InChI Key	KDMMGWQCJFPTBH-UHFFFAOYSA-N
Purity	95%
Complexity	1300
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	878.238789
Heavy Atom Count	65
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Monoisotopic Mass	878.238789
Rotatable Bond Count	4
Topological Polar Surface Area	57.4 Ų