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Home > Pyridines > 122955-18-4
122955-18-4 | 5H-Cyclopenta[2,1-b:3,4-b']dipyridine, 5,5-bis(4-pyridinylmethyl)-
CAS No: 122955-18-4 Catalog No: AG000JTX MDL No:
Product Description
Catalog Number:
AG000JTX
Chemical Name:
5H-Cyclopenta[2,1-b:3,4-b']dipyridine, 5,5-bis(4-pyridinylmethyl)-
CAS Number:
122955-18-4
Molecular Formula:
C23H18N4
Molecular Weight:
350.4158
IUPAC Name:
8,8-bis(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
InChI:
InChI=1S/C23H18N4/c1-3-19-21(26-9-1)22-20(4-2-10-27-22)23(19,15-17-5-11-24-12-6-17)16-18-7-13-25-14-8-18/h1-14H,15-16H2
InChI Key:
FJYRSJDIZKTXKB-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)CC1(Cc2ccncc2)c2cccnc2c2c1cccn2
UNII:
7IKM67CSEQ
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.153g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.425g/mol
Monoisotopic Mass:
350.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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