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77939-38-9 | 8H-Cyclopenta[g]quinoline, 8,8-diethyl-6-(1-ethylpropyl)-7-phenyl-
CAS No: 77939-38-9 Catalog No: AG005EA4 MDL No:
Product Description
Catalog Number:
AG005EA4
Chemical Name:
8H-Cyclopenta[g]quinoline, 8,8-diethyl-6-(1-ethylpropyl)-7-phenyl-
CAS Number:
77939-38-9
Molecular Formula:
C27H31N
Molecular Weight:
369.5417
IUPAC Name:
8,8-diethyl-6-pentan-3-yl-7-phenylcyclopenta[g]quinoline
InChI:
InChI=1S/C27H31N/c1-5-19(6-2)25-22-17-21-15-12-16-28-24(21)18-23(22)27(7-3,8-4)26(25)20-13-10-9-11-14-20/h9-19H,5-8H2,1-4H3
InChI Key:
IRKWNYZFYXGGBU-UHFFFAOYSA-N
SMILES:
CCC(C1=C(c2ccccc2)C(c2c1cc1cccnc1c2)(CC)CC)CC
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.246g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.552g/mol
Monoisotopic Mass:
369.246g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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