5,10,15,20-Tetraphenyl-21H,23H-porphine copper(II)

Catalog Number	ACM14172919-4
CAS	14172-91-9
Structure
Synonyms	Copper;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
IUPAC Name	copper;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
Molecular Weight	678.3
Molecular Formula	C44H30CuN4
Canonical SMILES	C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3.[Cu+2]
InChI	InChI=1S/C44H30N4.Cu/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28,45,48H;/q;+2
InChI Key	BQWXRCGBXCQIAB-UHFFFAOYSA-N
Purity	95%
Complexity	851
Covalently-Bonded Unit Count	2
EC Number	238-019-3
Exact Mass	677.176644
Formal Charge	2
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Monoisotopic Mass	677.176644
Rotatable Bond Count	4
Topological Polar Surface Area	57.4 Ų