Home Other Building Blocks 9,9'-Spirobi[9H-fluorene]-2,2',7,7'-tetramine, N2,N2,N2',N2',N7,N7,N7',N7'-octaphenyl-

9,9'-Spirobi[9H-fluorene]-2,2',7,7'-tetramine, N2,N2,N2',N2',N7,N7,N7',N7'-octaphenyl-

CAS No.:
189363-47-1
Catalog Number:
AG002DLL
Molecular Formula:
C73H52N4
Molecular Weight:
985.2208
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$216
- +
5g
98%
In Stock USA
United States
$710
- +
Product Description
Catalog Number:
AG002DLL
Chemical Name:
9,9'-Spirobi[9H-fluorene]-2,2',7,7'-tetramine, N2,N2,N2',N2',N7,N7,N7',N7'-octaphenyl-
CAS Number:
189363-47-1
Molecular Formula:
C73H52N4
Molecular Weight:
985.2208
MDL Number:
MFCD11114061
IUPAC Name:
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
InChI:
InChI=1S/C73H52N4/c1-9-25-53(26-10-1)74(54-27-11-2-12-28-54)61-41-45-65-66-46-42-62(75(55-29-13-3-14-30-55)56-31-15-4-16-32-56)50-70(66)73(69(65)49-61)71-51-63(76(57-33-17-5-18-34-57)58-35-19-6-20-36-58)43-47-67(71)68-48-44-64(52-72(68)73)77(59-37-21-7-22-38-59)60-39-23-8-24-40-60/h1-52H
InChI Key:
MQRCTQVBZYBPQE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccccc1)c1ccc2c(c1)C1(c3c2ccc(c3)N(c2ccccc2)c2ccccc2)c2cc(ccc2c2c1cc(cc2)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
1470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
984.419g/mol
Formal Charge:
0
Heavy Atom Count:
77  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
985.247g/mol
Monoisotopic Mass:
984.419g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.3  
Literature
Title Journal
Theoretical study of the transfer integral and density of states in spiro-linked triphenylamine derivatives. The Journal of chemical physics 20050822
Properties