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796087-99-5 | Quinoline, 4,4'-(1,8-naphthalenediyl)bis[2-(1-methylethyl)-
CAS No: 796087-99-5 Catalog No: AG005J9E MDL No:
Product Description
Catalog Number:
AG005J9E
Chemical Name:
Quinoline, 4,4'-(1,8-naphthalenediyl)bis[2-(1-methylethyl)-
CAS Number:
796087-99-5
Molecular Formula:
C34H30N2
Molecular Weight:
466.6154
IUPAC Name:
2-propan-2-yl-4-[8-(2-propan-2-ylquinolin-4-yl)naphthalen-1-yl]quinoline
InChI:
InChI=1S/C34H30N2/c1-21(2)32-19-28(24-13-5-7-17-30(24)35-32)26-15-9-11-23-12-10-16-27(34(23)26)29-20-33(22(3)4)36-31-18-8-6-14-25(29)31/h5-22H,1-4H3
InChI Key:
GHWRVCGJYFVNSH-UHFFFAOYSA-N
SMILES:
CC(c1nc2ccccc2c(c1)c1cccc2c1c(ccc2)c1cc(nc2c1cccc2)C(C)C)C
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.241g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.628g/mol
Monoisotopic Mass:
466.241g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
Literature
| Title | Journal |
|---|---|
| Carbon chemical shift tensor components in quinolines and quinoline N-oxides. | The journal of physical chemistry. A 20060112 |
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