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70111-81-8

70111-81-8 | 2,3,6,7-TETRAPHENYLIMIDAZO[1,2-B][1,2,4]TRIAZINE

CAS No: 70111-81-8 Catalog No: AG005LJW MDL No:

Product Description

Catalog Number:
AG005LJW
Chemical Name:
2,3,6,7-TETRAPHENYLIMIDAZO[1,2-B][1,2,4]TRIAZINE
CAS Number:
70111-81-8
Molecular Formula:
C29H20N4
Molecular Weight:
424.4959
IUPAC Name:
2,3,6,7-tetraphenylimidazo[1,2-b][1,2,4]triazine
InChI:
InChI=1S/C29H20N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)32-33-28(24-19-11-4-12-20-24)27(31-29(33)30-25)23-17-9-3-10-18-23/h1-20H
InChI Key:
YDWJRKLTCQTYIH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nn2c(nc1c1ccccc1)nc(c2c1ccccc1)c1ccccc1
EC Number:
274-319-0

Properties

Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.169g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.507g/mol
Monoisotopic Mass:
424.169g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  

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