AG003M8D

74684-34-7 | 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)-21h,23h-porphine

AG003M8D

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CAS Number	74684-34-7
Catalog Number	AG003M8D(AGN-PC-0OHIAA)
Chemical Name	5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)-21h,23h-porphine
IUPAC Name	5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,23-dihydroporphyrin
InChI	InChI=1S/C52H46N4O8/c1-57-33-17-29(18-34(25-33)58-2)49-41-9-11-43(53-41)50(30-19-35(59-3)26-36(20-30)60-4)45-13-15-47(55-45)52(32-23-39(63-7)28-40(24-32)64-8)48-16-14-46(56-48)51(44-12-10-42(49)54-44)31-21-37(61-5)27-38(22-31)62-6/h9-28,53,56H,1-8H3
InChI Key	YNXRFPUCCCJMPX-UHFFFAOYSA-N
MDL Number	MFCD02093501
Molecular Formula	C52H46N4O8
Molecular Weight	854.9436
SMILES	COC1=CC(OC)=CC(C2=C3C=CC(C(C4=CC(OC)=CC(OC)=C4)=C(N5)C=CC5=C(C6=CC(OC)=CC(OC)=C6)C7=NC(C=C7)=C(C8=CC(OC)=CC(OC)=C8)C9=CC=C2N9)=N3)=C1
Synonyms	74684-34-7, 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)-21H,23H-porphine, 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin, 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl ) -21H,23H-porphyrin, 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)-21H,23H-porphyrin, ACMC-209ovp, SCHEMBL498495, CTK3J8274, C52H46N4O8, 1609AC, ANW-36515, DD-154, MFCD02093501, AKOS015851576, KS-000014Z8, AK102911, meso-Tetrakis(3,5-dimethoxyphenyl)porphyrin, TR-024126, 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)-21H,23H-porphine, 95%, (5Z,10Z,14Z,19Z)-5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,23-dihydroporphyrin, 3,5-Dimethoxy-1-[7,12,17-tris(3,5-dimethoxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1<3,6>.1<8,11>.1<13,16>]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]benzene, T1832, 5,10,15,20-Tetrakis(3,5-dimethoxyphenyl )-21H,23H-porphyrin, 5,10,15,20-tetrakis(3,5-dimethoxyphenyl)-21,22-dihydroporphyrin,

Complexity	1200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	854.332g/mol
Formal Charge	0
Heavy Atom Count	64
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	854.96g/mol
Monoisotopic Mass	854.332g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	131A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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