113474-60-5

Basic information

• Product Name: 1,3-diphenyl<4,5,6,7,8,9,10,11-2H8>cyclopentaphenanthren-2-one
• Synonyms: 1,3-diphenyl<4,5,6,7,8,9,10,11-2H8>cyclopentaphenanthren-2-one
• CAS NO: 113474-60-5
• Molecular Weight: 390.398
• Mol File: 113474-60-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,3-diphenyl<4,5,6,7,8,9,10,11-2H8>cyclopentaphenanthren-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-diphenyl<4,5,6,7,8,9,10,11-2H8>cyclopentaphenanthren-2-one(113474-60-5)
• EPA Substance Registry System: 1,3-diphenyl<4,5,6,7,8,9,10,11-2H8>cyclopentaphenanthren-2-one(113474-60-5)

Safety Data

• Hazardous Substances Data: 113474-60-5(Hazardous Substances Data)

Upstream product

• 113451-49-3 <2H8>-phenanthrene-9,10-quinone 
• 102-04-5 1,3-Diphenylpropanone 
• 1517-22-2 decadeuterio-phenanthrene 

Downstream Products

• 113451-50-6 1,2,3,4-tetraphenyl<5,6,7,8,9,10,11,12-2H8>triphenylene 

Relevant articles and documents

Twisted Polycyclic Aromatic Hydrocarbons. Structural Studies of Protic and Deuteriated 1,2,3,4-Tetraphenyltriphenylenes

An X-ray crystallographic study of 1,2,3,4-tetraphenyltriphenylene shows that the polycyclic nucleus of this molecule is substantially twisted due to severe nonbonded interactions between the triphenylene hydrogen atoms and the proximal carbons of the 1- and 4-phenyl groups.The two independent molecules in the crystallographic unit cell exhibit twists of 28.1 deg and 30.9 deg, slightly less than the 33 deg twist predicted by MM2(85). 1,2,3,4-Tetraphenyltriphenylene was prepared to determine if the twist angle would be altered by deuteriumsubstitution, and it was found that the X-ray structures of the deuteriated and protic molecules did not differ significantly.