2,9-bis(1,8-diethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 2,9-bis(1,8-diethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline Openeye Name: 2,9-bis(1,8-diethyl-9-anthryl)-4,7-diphenyl-1,10-phenanthroline CAS Name: 2,9-bis(1,8-diethyl-9-anthracenyl)-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 2,9-bis(1,8-diethylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline Traditional Name: 2,9-bis(1,8-diethyl-9-anthryl)-4,7-diphenyl-1,10-phenanthroline Formula: C60H48N2 MolecularWeight: 797.03652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=CC3=C(C(=CC=C3)CC)C(=C21)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C8=C9C(=CC1=C8C(=CC=C1)CC)C=CC=C9CC)C(=C4)C1=CC=CC=C1

Isomeric SMILES

CCC1=CC=CC2=CC3=C(C(=CC=C3)CC)C(=C21)C4=NC5=C(C=CC6=C5N=C(C=C6C7=CC=CC=C7)C8=C9C(=CC1=C8C(=CC=C1)CC)C=CC=C9CC)C(=C4)C1=CC=CC=C1

InChI

InChI=1S/C60H48N2/c1-5-37-23-15-27-43-33-44-28-16-24-38(6-2)54(44)57(53(37)43)51-35-49(41-19-11-9-12-20-41)47-31-32-48-50(42-21-13-10-14-22-42)36-52(62-60(48)59(47)61-51)58-55-39(7-3)25-17-29-45(55)34-46-30-18-26-40(8-4)56(46)58/h9-36H,5-8H2,1-4H3