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296269-66-4 | 9,9'-Spirobi[9H-fluorene], 2,2',7,7'-tetrakis(2,2-diphenylethenyl)-
CAS No: 296269-66-4 Catalog No: AG002YX7 MDL No:
Product Description
Catalog Number:
AG002YX7
Chemical Name:
9,9'-Spirobi[9H-fluorene], 2,2',7,7'-tetrakis(2,2-diphenylethenyl)-
CAS Number:
296269-66-4
Molecular Formula:
C81H56
Molecular Weight:
1029.3113
IUPAC Name:
2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
InChI:
InChI=1S/C81H56/c1-9-25-61(26-10-1)73(62-27-11-2-12-28-62)49-57-41-45-69-70-46-42-58(50-74(63-29-13-3-14-30-63)64-31-15-4-16-32-64)54-78(70)81(77(69)53-57)79-55-59(51-75(65-33-17-5-18-34-65)66-35-19-6-20-36-66)43-47-71(79)72-48-44-60(56-80(72)81)52-76(67-37-21-7-22-38-67)68-39-23-8-24-40-68/h1-56H
InChI Key:
RUJRIUJWINWXIG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(=Cc1ccc2c(c1)C1(c3c2ccc(c3)C=C(c2ccccc2)c2ccccc2)c2cc(ccc2c2c1cc(cc2)C=C(c1ccccc1)c1ccccc1)C=C(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
1710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1028.438g/mol
Formal Charge:
0
Heavy Atom Count:
81
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1029.339g/mol
Monoisotopic Mass:
1028.438g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
23
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