5,15-bis[4-(3-bromanylpropoxy)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis[4-(3-bromanylpropoxy)phenyl]-21,22-dihydroporphyrin Openeye Name: 5,15-bis[4-(3-bromopropoxy)phenyl]-21,22-dihydroporphyrin CAS Name: 5,15-bis[4-(3-bromopropoxy)phenyl]-21,22-dihydroporphyrin IUPAC Name: 5,15-bis[4-(3-bromopropoxy)phenyl]-21,22-dihydroporphyrin Traditional Name: 5,15-bis[4-(3-bromopropoxy)phenyl]-21,22-dihydroporphine Formula: C38H32Br2N4O2 MolecularWeight: 736.49428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)OCCCBr)C=C4)N3)OCCCBr

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)OCCCBr)C=C4)N3)OCCCBr

InChI

InChI=1S/C38H32Br2N4O2/c39-19-1-21-45-31-11-3-25(4-12-31)37-33-15-7-27(41-33)23-29-9-17-35(43-29)38(26-5-13-32(14-6-26)46-22-2-20-40)36-18-10-30(44-36)24-28-8-16-34(37)42-28/h3-18,23-24,41-42H,1-2,19-22H2