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138144-80-6 | Quinoline, 1,2-dihydro-1-hydroxy-2,2,4-trimethyl-6-(triphenylmethyl)-
CAS No: 138144-80-6 Catalog No: AG00182B MDL No:
Product Description
Catalog Number:
AG00182B
Chemical Name:
Quinoline, 1,2-dihydro-1-hydroxy-2,2,4-trimethyl-6-(triphenylmethyl)-
CAS Number:
138144-80-6
Molecular Formula:
C31H29NO
Molecular Weight:
431.5681
IUPAC Name:
1-hydroxy-2,2,4-trimethyl-6-tritylquinoline
InChI:
InChI=1S/C31H29NO/c1-23-22-30(2,3)32(33)29-20-19-27(21-28(23)29)31(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22,33H,1-3H3
InChI Key:
FAOUVPWKTVZDQU-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C)N(c2c1cc(cc2)C(c1ccccc1)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.225g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.579g/mol
Monoisotopic Mass:
431.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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