AG007BHQ

16834-13-2 | 5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine

AG007BHQ

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CAS Number	16834-13-2
Catalog Number	AG007BHQ(AGN-PC-0JLW1F)
Chemical Name	5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine
EC Number	240-858-5
IUPAC Name	5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
InChI	InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H
InChI Key	DNZSHSJERXNJGX-UHFFFAOYSA-N
MDL Number	MFCD00009626
Molecular Formula	C40H26N8
Molecular Weight	618.6880
SMILES	C1(/C2=CC=NC=C2)=C3C=CC(/C(C4=CC=NC=C4)=C5C=C/C(N/5)=C(C6=CC=NC=C6)/C(C=C/7)=NC7=C(C8=CC=NC=C8)/C9=CC=C1N9)=N/3
Synonyms	5,10,15,20-tetra(4-pyridyl)-21H,23H-porphine, 5,10,15,20-tetra(4-pyridyl)porphyrin, H(2)TPyP, 16834-13-2, 5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine, meso-Tetra(4-pyridyl)porphine, 5,10,15,20-Tetra(4-pyridyl)porphyrin, 21H,23H-Porphine, 5,10,15,20-tetra-4-pyridinyl-, AK-62442, 21H,23H-Porphine,5,10,15,20-tetra-4-pyridinyl-, MFCD00009626, ACMC-209dy0, tetrakis(4-pyridyl)porphyrin, meso-Tetra-4-pyridylporphine, SCHEMBL245937, CHEMBL3040240, CHEMBL4084530, DTXSID4066121, CTK3J0985, DNZSHSJERXNJGX-UHFFFAOYSA-N, EINECS 240-858-5, 8597AA, ANW-22342, STL557808, AKOS015854419, GS-6400, MCULE-4540725925, KS-000015Q2, 5-10-15-20-(tetra-4-pyridyl)porphyrin, TR-007312, BB 0261664, C-23358, I14-50976, 5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine, 97%, (5Z,10Z,14Z,19Z)-5,10,15,20-tetrakis(4-pyridyl)-21,23-dihydroporphyrin, C40H26N8, 5,10,15,20-tetra(pyridin-4-yl)porphyrin, T2222, 5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin, 5,10,15,20-Tetra(4-pyridyl)porphyrin, 97% - 1G 1g, 2,7,12,17-tetrakis(pyridin-4-yl)-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-undecaene,

Complexity	863
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	618.228g/mol
Formal Charge	0
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	618.704g/mol
Monoisotopic Mass	618.228g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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