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114625-96-6 | Phenazine, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[5,10-dihydro-10-phenyl- (9CI)
CAS No: 114625-96-6 Catalog No: AG000EVE MDL No:
Product Description
Catalog Number:
AG000EVE
Chemical Name:
Phenazine, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[5,10-dihydro-10-phenyl- (9CI)
CAS Number:
114625-96-6
Molecular Formula:
C48H34N4
Molecular Weight:
666.8104
IUPAC Name:
5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)phenyl]phenyl]phenazine
InChI:
InChI=1S/C48H34N4/c1-3-15-37(16-4-1)49-41-19-7-11-23-45(41)51(46-24-12-8-20-42(46)49)39-31-27-35(28-32-39)36-29-33-40(34-30-36)52-47-25-13-9-21-43(47)50(38-17-5-2-6-18-38)44-22-10-14-26-48(44)52/h1-34H
InChI Key:
GGBIBIYCGMRSHY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1c2ccccc2n(c2c1cccc2)c1ccc(cc1)c1ccc(cc1)n1c2ccccc2n(c2c1cccc2)c1ccccc1
Properties
Complexity:
993
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.278g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
666.828g/mol
Monoisotopic Mass:
666.278g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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