5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine

Catalog Number	ACM16834132-1
CAS	16834-13-2
Structure
Synonyms	meso-Tetra(4-pyridyl)porphine; 5,10,15,20-Tetra(4-pyridyl)porphyrin
IUPAC Name	5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
Molecular Weight	618.69
Molecular Formula	C40H26N8
Canonical SMILES	C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9
InChI	DNZSHSJERXNJGX-UHFFFAOYSA-N
InChI Key	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
Purity	95%
Appearance	Solid
Complexity	863
Covalently-Bonded Unit Count	1
EC Number	240-858-5
Exact Mass	618.22804286
Formal Charge	0
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Monoisotopic Mass	618.22804286
Rotatable Bond Count	4
Topological Polar Surface Area	109 Ų