5-chloranyl-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 5-chloranyl-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline Openeye Name: 5-chloro-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline CAS Name: 5-chloro-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 5-chloro-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline Traditional Name: 5-chloro-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline Formula: C36H39ClN2 MolecularWeight: 535.16126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C3C(=C(C=NC3=C2N=C1)CCCCCC)C4=CC=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C3C(=C(C=NC3=C2N=C1)CCCCCC)C4=CC=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C36H39ClN2/c1-3-5-7-11-21-28-24-38-35-30(32(28)26-17-13-9-14-18-26)23-31(37)34-33(27-19-15-10-16-20-27)29(25-39-36(34)35)22-12-8-6-4-2/h9-10,13-20,23-25H,3-8,11-12,21-22H2,1-2H3