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871798-86-6 | Cyclododeca[c]pyridine,5,6,7,8,9,10,11,12,13,14-decahydro-3-phenyl-1-(2-pyridinyl)-
CAS No: 871798-86-6 Catalog No: AG004NMQ MDL No:
Product Description
Catalog Number:
AG004NMQ
Chemical Name:
Cyclododeca[c]pyridine,5,6,7,8,9,10,11,12,13,14-decahydro-3-phenyl-1-(2-pyridinyl)-
CAS Number:
871798-86-6
Molecular Formula:
C26H30N2
Molecular Weight:
370.5298
IUPAC Name:
3-phenyl-1-pyridin-2-yl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine
InChI:
InChI=1S/C26H30N2/c1-2-4-6-11-17-23-22(16-8-5-3-1)20-25(21-14-9-7-10-15-21)28-26(23)24-18-12-13-19-27-24/h7,9-10,12-15,18-20H,1-6,8,11,16-17H2
InChI Key:
XXKHDLHLWVOUCU-UHFFFAOYSA-N
SMILES:
C1CCCCCc2c(CCCC1)cc(nc2c1ccccn1)c1ccccc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.241g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.54g/mol
Monoisotopic Mass:
370.241g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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