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1233200-52-6 | 1,3,5-Triazine, 2-(9,9'-spirobi[9H-fluoren]-2-yl)-4,6-bis([1,1':3',1''-terphenyl]-5'-yl)-
CAS No: 1233200-52-6 Catalog No: AG000KC6 MDL No:
Product Description
Catalog Number:
AG000KC6
Chemical Name:
1,3,5-Triazine, 2-(9,9'-spirobi[9H-fluoren]-2-yl)-4,6-bis([1,1':3',1''-terphenyl]-5'-yl)-
CAS Number:
1233200-52-6
Molecular Formula:
C64H41N3
Molecular Weight:
852.0304
IUPAC Name:
2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
InChI:
InChI=1S/C64H41N3/c1-5-19-42(20-6-1)47-35-48(43-21-7-2-8-22-43)38-51(37-47)62-65-61(66-63(67-62)52-39-49(44-23-9-3-10-24-44)36-50(40-52)45-25-11-4-12-26-45)46-33-34-56-55-29-15-18-32-59(55)64(60(56)41-46)57-30-16-13-27-53(57)54-28-14-17-31-58(54)64/h1-41H
InChI Key:
LXCFSFDAHQLFAC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(cc(c1)c1ccccc1)c1nc(nc(n1)c1cc(cc(c1)c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3c2cccc3)c2ccccc2c2c1cccc2
Properties
Complexity:
1440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
851.33g/mol
Formal Charge:
0
Heavy Atom Count:
67
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
852.053g/mol
Monoisotopic Mass:
851.33g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.9
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