Synonyms
(1Z,4Z,15Z)-5,15,20-tris(1-methylpyridin-1-ium-4-yl)-10-(1-methylpyridin-4-ylidene)-22,23-dihydro-21H-porphyrin;500295-52-3;
IUPAC Name
5,15,20-tris(1-methylpyridin-1-ium-4-yl)-10-(1-methylpyridin-4-ylidene)-22,23-dihydro-21H-porphyrin;
Molecular Weight
679.852g/mol
Molecular Formula
C44H39N8+3;
Canonical SMILES
CN1C=CC(=C2C3=CC=C(N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)N4)C9=CC=[N+](C=C9)C)C=C1;
InChI
InChI=1S/C44H38N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H2,45,46,47,48)/q+2/p+1;
InChI Key
FOUOYXAWZRYAOM-UHFFFAOYSA-O;
Complexity
1550
Covalently-Bonded Unit Count
1
Exact Mass
679.33g/mol
Formal Charge
3
H-Bond Acceptor
3
H-Bond Donor
3
Heavy Atom Count
52
Monoisotopic Mass
679.33g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
70.8A^2
Undefined Bond Stereocenter Count
3
