4,7-bis(4-heptylphenyl)-1,10-phenanthroline

Systemtic Name: 4,7-bis(4-heptylphenyl)-1,10-phenanthroline Openeye Name: 4,7-bis(4-heptylphenyl)-1,10-phenanthroline CAS Name: 4,7-bis(4-heptylphenyl)-1,10-phenanthroline IUPAC Name: 4,7-bis(4-heptylphenyl)-1,10-phenanthroline Traditional Name: 4,7-bis(4-heptylphenyl)-1,10-phenanthroline Formula: C38H44N2 MolecularWeight: 528.76936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)CCCCCCC

InChI

InChI=1S/C38H44N2/c1-3-5-7-9-11-13-29-15-19-31(20-16-29)33-25-27-39-37-35(33)23-24-36-34(26-28-40-38(36)37)32-21-17-30(18-22-32)14-12-10-8-6-4-2/h15-28H,3-14H2,1-2H3