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1192873-43-0 | 1H-Indazol-5-amine, 3-(4-pyridinyl)-1-(triphenylmethyl)-
CAS No: 1192873-43-0 Catalog No: AG000IIB MDL No:
Product Description
Catalog Number:
AG000IIB
Chemical Name:
1H-Indazol-5-amine, 3-(4-pyridinyl)-1-(triphenylmethyl)-
CAS Number:
1192873-43-0
Molecular Formula:
C31H24N4
Molecular Weight:
452.5491
IUPAC Name:
3-pyridin-4-yl-1-tritylindazol-5-amine
InChI:
InChI=1S/C31H24N4/c32-27-16-17-29-28(22-27)30(23-18-20-33-21-19-23)34-35(29)31(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-22H,32H2
InChI Key:
MMYGHWILFXTQBO-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccncc1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.2g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.561g/mol
Monoisotopic Mass:
452.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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