Palladium, [5,15-bis(4-methylphenyl)-10,20-diphenyl-21H,23H-porphinato(2-)-κN21,κN22,κN23,κN24]-, (SP-4-1)

Catalog Number	ACM852244576
CAS	852244-57-6
Synonyms	5,15-Bis(4-methylphenyl)-10,20-diphenylporphyrin-22,24-diide;palladium(2+)
Molecular Weight	747.19
Molecular Formula	C46H32N4Pd
Canonical SMILES	CC1=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)C=C4)C9=CC=CC=C9)[N-]3.[Pd+2]
InChI	InChI=1S/C46H32N4.Pd/c1-29-13-17-33(18-14-29)45-39-25-21-35(47-39)43(31-9-5-3-6-10-31)37-23-27-41(49-37)46(34-19-15-30(2)16-20-34)42-28-24-38(50-42)44(32-11-7-4-8-12-32)36-22-26-40(45)48-36;/h3-28H,1-2H3;/q-2;+2
InChI Key	APAIQWOVUBDQTC-UHFFFAOYSA-N
Purity	98%
Complexity	1420
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	746.16618
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	746.16618
Rotatable Bond Count	4
Topological Polar Surface Area	26.7 Ų