2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-dipyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-dipyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-dipyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-dipyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis(4-pyridyl)-21,22-dihydroporphine Formula: C42H44N6 MolecularWeight: 632.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)CC)C)C6=CC=NC=C6)C)CC)CC)C)C7=CC=NC=C7)C

Isomeric SMILES

CCC1=C(C2=C(C3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)CC)C)C6=CC=NC=C6)C)CC)CC)C)C7=CC=NC=C7)C

InChI

InChI=1S/C42H44N6/c1-9-29-23(5)39-37(27-13-17-43-18-14-27)40-25(7)31(11-3)35(47-40)22-36-32(12-4)26(8)42(48-36)38(28-15-19-44-20-16-28)41-24(6)30(10-2)34(46-41)21-33(29)45-39/h13-22,45,47H,9-12H2,1-8H3