1-piperidin-1-yl-3-pyren-1-yl-9,10-dihydrophenanthrene-2-carbonitrile

Systemtic Name: 1-piperidin-1-yl-3-pyren-1-yl-9,10-dihydrophenanthrene-2-carbonitrile Openeye Name: 1-(1-piperidyl)-3-pyren-1-yl-9,10-dihydrophenanthrene-2-carbonitrile CAS Name: 1-(1-piperidinyl)-3-(1-pyrenyl)-9,10-dihydrophenanthrene-2-carbonitrile IUPAC Name: 1-piperidin-1-yl-3-pyren-1-yl-9,10-dihydrophenanthrene-2-carbonitrile Traditional Name: 1-piperidino-3-pyren-1-yl-9,10-dihydrophenanthrene-2-carbonitrile Formula: C36H28N2 MolecularWeight: 488.62092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=CC3=C2CCC4=CC=CC=C43)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C(=CC3=C2CCC4=CC=CC=C43)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C#N

InChI

InChI=1S/C36H28N2/c37-22-33-32(28-16-14-26-12-11-24-8-6-9-25-15-17-29(28)35(26)34(24)25)21-31-27-10-3-2-7-23(27)13-18-30(31)36(33)38-19-4-1-5-20-38/h2-3,6-12,14-17,21H,1,4-5,13,18-20H2