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88065-01-4 | Benzo[h]quinoline, 2-(1,1-dimethylethyl)-5,6-dihydro-4,9-diphenyl-
CAS No: 88065-01-4 Catalog No: AG008D0U MDL No:
Product Description
Catalog Number:
AG008D0U
Chemical Name:
Benzo[h]quinoline, 2-(1,1-dimethylethyl)-5,6-dihydro-4,9-diphenyl-
CAS Number:
88065-01-4
Molecular Formula:
C29H27N
Molecular Weight:
389.5314
IUPAC Name:
2-tert-butyl-4,9-diphenyl-5,6-dihydrobenzo[h]quinoline
InChI:
InChI=1S/C29H27N/c1-29(2,3)27-19-25(21-12-8-5-9-13-21)24-17-16-22-14-15-23(18-26(22)28(24)30-27)20-10-6-4-7-11-20/h4-15,18-19H,16-17H2,1-3H3
InChI Key:
FXWYWOOBRZTLHM-UHFFFAOYSA-N
SMILES:
CC(c1nc2c3cc(ccc3CCc2c(c1)c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.214g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.542g/mol
Monoisotopic Mass:
389.214g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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