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Home > Fluorides > 138181-07-4
138181-07-4 | Isoquinoline, 1,4-bis(4-fluorophenyl)-3,5,6,7,8-pentaphenyl-
CAS No: 138181-07-4 Catalog No: AG00185P MDL No:
Product Description
Catalog Number:
AG00185P
Chemical Name:
Isoquinoline, 1,4-bis(4-fluorophenyl)-3,5,6,7,8-pentaphenyl-
CAS Number:
138181-07-4
Molecular Formula:
C51H33F2N
Molecular Weight:
697.8112
IUPAC Name:
1,4-bis(4-fluorophenyl)-3,5,6,7,8-pentakis-phenylisoquinoline
InChI:
InChI=1S/C51H33F2N/c52-41-30-26-38(27-31-41)47-48-45(36-20-10-3-11-21-36)43(34-16-6-1-7-17-34)44(35-18-8-2-9-19-35)46(37-22-12-4-13-23-37)49(48)51(40-28-32-42(53)33-29-40)54-50(47)39-24-14-5-15-25-39/h1-33H
InChI Key:
CFAKBLJTFJIDEV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc(c2ccccc2)c(c2c1c(c1ccccc1)c(c(c2c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)F
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
697.258g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
697.829g/mol
Monoisotopic Mass:
697.258g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.8
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