2,7-ditert-butyl-N-naphthalen-1-yl-N-phenyl-pyren-4-amine

Systemtic Name: 2,7-ditert-butyl-N-naphthalen-1-yl-N-phenyl-pyren-4-amine Openeye Name: 2,7-ditert-butyl-N-(1-naphthyl)-N-phenyl-pyren-4-amine CAS Name: 2,7-ditert-butyl-N-(1-naphthalenyl)-N-phenyl-4-pyrenamine IUPAC Name: 2,7-ditert-butyl-N-naphthalen-1-yl-N-phenylpyren-4-amine Traditional Name: (2,7-ditert-butylpyren-4-yl)-(1-naphthyl)-phenyl-amine Formula: C40H37N MolecularWeight: 531.72848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=C3C=C(C=C4C3=C2C(=C1)C=C4)C(C)(C)C)N(C5=CC=CC=C5)C6=CC=CC7=CC=CC=C76

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=C3C=C(C=C4C3=C2C(=C1)C=C4)C(C)(C)C)N(C5=CC=CC=C5)C6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C40H37N/c1-39(2,3)30-21-27-19-20-28-22-31(40(4,5)6)25-34-36(24-29(23-30)37(27)38(28)34)41(32-15-8-7-9-16-32)35-18-12-14-26-13-10-11-17-33(26)35/h7-25H,1-6H3