Synonyms
2,7,12,17-Tetraethyl-3,8,13,18-tetramethylporphyrin dihydrobromide
IUPAC Name
2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-21,22-dihydroporphyrin;dihydrobromide
Molecular Weight
640.49
Molecular Formula
C32H40Br2N4
Canonical SMILES
CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CC)C)CC)C)CC)C.Br.Br;
InChI
WUODKDJTNVPUGC-UHFFFAOYSA-N
InChI Key
InChI=1S/C32H38N4.2BrH/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;;/h13-16,33-34H,9-12H2,1-8H3;2*1H
Purity
98%
Appearance
Powder
Complexity
727
Covalently-Bonded Unit Count
3
Exact Mass
640.16g/mol
H-Bond Acceptor
2
H-Bond Donor
4
Heavy Atom Count
38
Isomeric SMILES
CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CC)C)CC)C)CC)C.Br.Br
Monoisotopic Mass
638.162g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
57.4A^2
