5-butyl-3,7,13,15,17-pentadeuterio-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 5-butyl-3,7,13,15,17-pentadeuterio-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5-butyl-3,7,13,15,17-pentadeuterio-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5-butyl-3,7,13,15,17-pentadeuterio-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5-butyl-3,7,13,15,17-pentadeuterio-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5-butyl-3,7,13,15,17-pentadeuterio-10,20-diphenyl-21,22-dihydroporphine Formula: C36H30N4 MolecularWeight: 523.681009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=C(C3=NC(=CC4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)C=C3)C7=CC=CC=C7)N2

Isomeric SMILES

[2H]C1=CC2=C(C3=NC(=C(C4=NC(=C(C5=CC(=C(N5)C(=C1N2)CCCC)[2H])C6=CC=CC=C6)C=C4[2H])[2H])C(=C3)[2H])C7=CC=CC=C7

InChI

InChI=1S/C36H30N4/c1-2-3-14-28-29-19-21-33(39-29)35(24-10-6-4-7-11-24)31-17-15-26(37-31)23-27-16-18-32(38-27)36(25-12-8-5-9-13-25)34-22-20-30(28)40-34/h4-13,15-23,39-40H,2-3,14H2,1H3/i15D,16D,19D,20D,23D