5,10,15,20-Tetrakis(4-methylphenyl)-21H,23H-porphine

Catalog Number	ACM14527516-4
CAS	14527-51-6
Structure
Synonyms	5,10,15,20-Tetrakis(p-tolyl)porphyrin
IUPAC Name	5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin
Molecular Weight	670.84
Molecular Formula	C48H38N4
Canonical SMILES	CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3
InChI	SFQNUQLWBBZIOZ-UHFFFAOYSA-N
InChI Key	InChI=1S/C48H38N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-28,49,52H,1-4H3
Melting Point	>300 °C
Purity	98%
Exact Mass	670.30964723
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Monoisotopic Mass	670.30964723
Rotatable Bond Count	4
Topological Polar Surface Area	57.4 Ų