4,7-dihexyl-2,9-bis(4-prop-2-ynoxyphenyl)-1,10-phenanthroline

Systemtic Name: 4,7-dihexyl-2,9-bis(4-prop-2-ynoxyphenyl)-1,10-phenanthroline Openeye Name: 4,7-dihexyl-2,9-bis(4-prop-2-ynoxyphenyl)-1,10-phenanthroline CAS Name: 4,7-dihexyl-2,9-bis(4-prop-2-ynoxyphenyl)-1,10-phenanthroline IUPAC Name: 4,7-dihexyl-2,9-bis(4-prop-2-ynoxyphenyl)-1,10-phenanthroline Traditional Name: 4,7-dihexyl-2,9-bis(4-propargyloxyphenyl)-1,10-phenanthroline Formula: C42H44N2O2 MolecularWeight: 608.81096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=NC2=C1C=CC3=C2N=C(C=C3CCCCCC)C4=CC=C(C=C4)OCC#C)C5=CC=C(C=C5)OCC#C

Isomeric SMILES

CCCCCCC1=CC(=NC2=C1C=CC3=C2N=C(C=C3CCCCCC)C4=CC=C(C=C4)OCC#C)C5=CC=C(C=C5)OCC#C

InChI

InChI=1S/C42H44N2O2/c1-5-9-11-13-15-33-29-39(31-17-21-35(22-18-31)45-27-7-3)43-41-37(33)25-26-38-34(16-14-12-10-6-2)30-40(44-42(38)41)32-19-23-36(24-20-32)46-28-8-4/h3-4,17-26,29-30H,5-6,9-16,27-28H2,1-2H3