1-phenyl-9-[(E)-4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]phenanthrene

Systemtic Name: 1-phenyl-9-[(E)-4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]phenanthrene Openeye Name: 1-phenyl-9-[(E)-4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]phenanthrene CAS Name: 1-phenyl-9-[(E)-4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]phenanthrene IUPAC Name: 1-phenyl-9-[(E)-4-(2,4,6-trimethylphenyl)but-1-en-3-ynyl]phenanthrene Traditional Name: 9-[(E)-4-mesitylbut-1-en-3-ynyl]-1-phenyl-phenanthrene Formula: C33H26 MolecularWeight: 422.55954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C#CC=CC2=CC3=C(C=CC=C3C4=CC=CC=C4)C5=CC=CC=C52)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C#C/C=C/C2=CC3=C(C=CC=C3C4=CC=CC=C4)C5=CC=CC=C52)C

InChI

InChI=1S/C33H26/c1-23-20-24(2)28(25(3)21-23)15-8-7-14-27-22-33-29(26-12-5-4-6-13-26)18-11-19-32(33)31-17-10-9-16-30(27)31/h4-7,9-14,16-22H,1-3H3/b14-7+