3,8-dihexyl-4,7-bis(2-phenylethynyl)-1,10-phenanthroline

Systemtic Name: 3,8-dihexyl-4,7-bis(2-phenylethynyl)-1,10-phenanthroline Openeye Name: 3,8-dihexyl-4,7-bis(2-phenylethynyl)-1,10-phenanthroline CAS Name: 3,8-dihexyl-4,7-bis(2-phenylethynyl)-1,10-phenanthroline IUPAC Name: 3,8-dihexyl-4,7-bis(2-phenylethynyl)-1,10-phenanthroline Traditional Name: 3,8-dihexyl-4,7-bis(2-phenylethynyl)-1,10-phenanthroline Formula: C40H40N2 MolecularWeight: 548.759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C2C(=C1C#CC3=CC=CC=C3)C=CC4=C(C(=CN=C42)CCCCCC)C#CC5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=CN=C2C(=C1C#CC3=CC=CC=C3)C=CC4=C(C(=CN=C42)CCCCCC)C#CC5=CC=CC=C5

InChI

InChI=1S/C40H40N2/c1-3-5-7-15-21-33-29-41-39-37(35(33)25-23-31-17-11-9-12-18-31)27-28-38-36(26-24-32-19-13-10-14-20-32)34(30-42-40(38)39)22-16-8-6-4-2/h9-14,17-20,27-30H,3-8,15-16,21-22H2,1-2H3