8,16-Diphenyl-5,6,8,8a,13,14,16,16a-octahydro-[1,2,4,5]tetrazino[3,2-a:6,5-a']diisoquinoline

Base Information

• Chemical Name: 8,16-Diphenyl-5,6,8,8a,13,14,16,16a-octahydro-[1,2,4,5]tetrazino[3,2-a:6,5-a']diisoquinoline
• CAS No.: 75615-05-3
• Molecular Formula: C₃₀H₂₈N₄
• Molecular Weight: 444.579
• European Community (EC) Number: 668-931-0

Synonyms:75615-05-3;8,16-Diphenyl-5,6,8,8a,13,14,16,16a-octahydro-[1,2,4,5]tetrazino[3,2-a:6,5-a']diisoquinoline;AKOS024432288;8,16-DIPHENYL-5,6,88A13141616AOCTAHYDRO(1245)TETRAZINO(61A:34A')DIISOQUINOLINE

Chemical Property of 8,16-Diphenyl-5,6,8,8a,13,14,16,16a-octahydro-[1,2,4,5]tetrazino[3,2-a:6,5-a']diisoquinoline

Chemical Property:

• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 444.23139691
• Heavy Atom Count: 34
• Complexity: 627

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Useful:

• Canonical SMILES: C1CN2C(C3=CC=CC=C31)N(N4CCC5=CC=CC=C5C4N2C6=CC=CC=C6)C7=CC=CC=C7

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