2,3,7,8,12,13,17,18-Octaethyl-21h,23h-porphine

Catalog Number	ACM2683821-1
CAS	2683-82-1
Structure
Synonyms	Octaethylporphine
IUPAC Name	2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin
Molecular Weight	534.78
Molecular Formula	C36H46N4
Canonical SMILES	CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC
InChI	XFIIGRBIXXECHR-UHFFFAOYSA-N
InChI Key	InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-38H,9-16H2,1-8H3
Melting Point	322 °C
Purity	97%
Appearance	Atropurpureus solid
Complexity	725
Covalently-Bonded Unit Count	1
EC Number	220-243-8
Exact Mass	534.37224748
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Monoisotopic Mass	534.37224748
Rotatable Bond Count	8
Topological Polar Surface Area	57.4 Ų