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870892-79-8 | 9,9'-Spirobi[9H-fluorene], 2,7-bis(9,9-dihexyl-9H-fluoren-2-yl)-
CAS No: 870892-79-8 Catalog No: AG004UW8 MDL No:
Product Description
Catalog Number:
AG004UW8
Chemical Name:
9,9'-Spirobi[9H-fluorene], 2,7-bis(9,9-dihexyl-9H-fluoren-2-yl)-
CAS Number:
870892-79-8
Molecular Formula:
C75H80
Molecular Weight:
981.4377
IUPAC Name:
2',7'-bis(9,9-dihexylfluoren-2-yl)-9,9'-spirobi[fluorene]
InChI:
InChI=1S/C75H80/c1-5-9-13-25-45-73(46-26-14-10-6-2)65-33-21-17-29-57(65)61-41-37-53(49-69(61)73)55-39-43-63-64-44-40-56(52-72(64)75(71(63)51-55)67-35-23-19-31-59(67)60-32-20-24-36-68(60)75)54-38-42-62-58-30-18-22-34-66(58)74(70(62)50-54,47-27-15-11-7-3)48-28-16-12-8-4/h17-24,29-44,49-52H,5-16,25-28,45-48H2,1-4H3
InChI Key:
RBMMZUOHPOBZDY-UHFFFAOYSA-N
SMILES:
CCCCCCC1(CCCCCC)c2cc(ccc2c2c1cccc2)c1ccc2c(c1)C1(c3c2ccc(c3)c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2c3cccc2)c2ccccc2c2c1cccc2
Properties
Complexity:
1600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
980.626g/mol
Formal Charge:
0
Heavy Atom Count:
75
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
981.465g/mol
Monoisotopic Mass:
980.626g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
25.5
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