6-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]hexanoic acid

Systemtic Name: 6-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]hexanoic acid Openeye Name: 6-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]hexanoic acid CAS Name: 6-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]hexanoic acid IUPAC Name: 6-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]hexanoic acid Traditional Name: 6-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]hexanoic acid Formula: C30H26N2O2 MolecularWeight: 446.53964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)CCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)CCCCCC(=O)O

InChI

InChI=1S/C30H26N2O2/c33-28(34)10-6-1-3-7-21-11-13-23(14-12-21)25-18-20-32-30-27(25)16-15-26-24(17-19-31-29(26)30)22-8-4-2-5-9-22/h2,4-5,8-9,11-20H,1,3,6-7,10H2,(H,33,34)