10,15,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphine Formula: C62H74N4 MolecularWeight: 875.27776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

InChI

InChI=1S/C62H74N4/c1-57(2,3)40-27-37(28-41(33-40)58(4,5)6)54-48-21-19-46(63-48)36-47-20-22-49(64-47)55(38-29-42(59(7,8)9)34-43(30-38)60(10,11)12)51-24-26-53(66-51)56(52-25-23-50(54)65-52)39-31-44(61(13,14)15)35-45(32-39)62(16,17)18/h19-36,63-64H,1-18H3