15-[4-(bromomethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-[4-(bromomethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-[4-(bromomethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-[4-(bromomethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-[4-(bromomethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-[4-(bromomethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphine Formula: C45H31BrN4 MolecularWeight: 707.65844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CBr)C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CBr)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C45H31BrN4/c46-28-29-16-18-33(19-17-29)45-40-26-24-38(49-40)43(31-12-6-2-7-13-31)36-22-20-34(47-36)42(30-10-4-1-5-11-30)35-21-23-37(48-35)44(32-14-8-3-9-15-32)39-25-27-41(45)50-39/h1-27,47-48H,28H2