Synonyms
CHEBI:52183; C-23122; DTXSID2062589; 2683-82-1; 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphin; SCHEMBL37749; SCHEMBL1614478; FT-0082151; FT-0602009; 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-;
IUPAC Name
2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin;
Molecular Weight
534.792g/mol
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
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;
InChI Key
XFIIGRBIXXECHR-UHFFFAOYSA-N;
Storage
-20°C
Complexity
725
Covalently-Bonded Unit Count
1
EC Number
220-243-8
Exact Mass
534.372g/mol
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
40
Monoisotopic Mass
534.372g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
57.4A^2
