3,8-bis[2-(3-ethynyl-5-heptoxy-phenyl)ethynyl]-1,10-phenanthroline

Systemtic Name: 3,8-bis[2-(3-ethynyl-5-heptoxy-phenyl)ethynyl]-1,10-phenanthroline Openeye Name: 3,8-bis[2-(3-ethynyl-5-heptoxy-phenyl)ethynyl]-1,10-phenanthroline CAS Name: 3,8-bis[2-(3-ethynyl-5-heptoxyphenyl)ethynyl]-1,10-phenanthroline IUPAC Name: 3,8-bis[2-(3-ethynyl-5-heptoxyphenyl)ethynyl]-1,10-phenanthroline Traditional Name: 3,8-bis[2-(3-ethynyl-5-heptoxy-phenyl)ethynyl]-1,10-phenanthroline Formula: C46H44N2O2 MolecularWeight: 656.85376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=CC(=C1)C#CC2=CC3=C(C4=C(C=C3)C=C(C=N4)C#CC5=CC(=CC(=C5)C#C)OCCCCCCC)N=C2)C#C

Isomeric SMILES

CCCCCCCOC1=CC(=CC(=C1)C#CC2=CC3=C(C4=C(C=C3)C=C(C=N4)C#CC5=CC(=CC(=C5)C#C)OCCCCCCC)N=C2)C#C

InChI

InChI=1S/C46H44N2O2/c1-5-9-11-13-15-23-49-43-29-35(7-3)25-37(31-43)17-19-39-27-41-21-22-42-28-40(34-48-46(42)45(41)47-33-39)20-18-38-26-36(8-4)30-44(32-38)50-24-16-14-12-10-6-2/h3-4,21-22,25-34H,5-6,9-16,23-24H2,1-2H3