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793695-09-7 | 8-Quinolinol,2,2'-(1R)-[1,1'-binaphthalene]-2,2'-diylbis[7-(1,1-dimethylethyl)-
CAS No: 793695-09-7 Catalog No: AG0058VL MDL No:
Product Description
Catalog Number:
AG0058VL
Chemical Name:
8-Quinolinol,2,2'-(1R)-[1,1'-binaphthalene]-2,2'-diylbis[7-(1,1-dimethylethyl)-
CAS Number:
793695-09-7
Molecular Formula:
C46H40N2O2
Molecular Weight:
652.8220
IUPAC Name:
7-tert-butyl-2-[1-[2-(7-tert-butyl-8-hydroxyquinolin-2-yl)naphthalen-1-yl]naphthalen-2-yl]quinolin-8-ol
InChI:
InChI=1S/C46H40N2O2/c1-45(2,3)35-23-17-29-19-25-37(47-41(29)43(35)49)33-21-15-27-11-7-9-13-31(27)39(33)40-32-14-10-8-12-28(32)16-22-34(40)38-26-20-30-18-24-36(46(4,5)6)44(50)42(30)48-38/h7-26,49-50H,1-6H3
InChI Key:
FLNAZOHZCASGKA-UHFFFAOYSA-N
SMILES:
Oc1c2nc(ccc2ccc1C(C)(C)C)c1ccc2c(c1c1c(ccc3c1cccc3)c1ccc3c(n1)c(O)c(cc3)C(C)(C)C)cccc2
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
652.309g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
652.838g/mol
Monoisotopic Mass:
652.309g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5
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