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Home > Indoles and Oxindole > 925253-33-4
925253-33-4 | 1H-Indol-5-ol, 3-[2-(5-hydroxy-1H-indol-3-yl)-5-pyrimidinyl]-
CAS No: 925253-33-4 Catalog No: AG0064I6 MDL No:
Product Description
Catalog Number:
AG0064I6
Chemical Name:
1H-Indol-5-ol, 3-[2-(5-hydroxy-1H-indol-3-yl)-5-pyrimidinyl]-
CAS Number:
925253-33-4
Molecular Formula:
C20H14N4O2
Molecular Weight:
342.3508
IUPAC Name:
3-[2-(5-hydroxy-1H-indol-3-yl)pyrimidin-5-yl]-1H-indol-5-ol
InChI:
InChI=1S/C20H14N4O2/c25-12-1-3-18-14(5-12)16(9-21-18)11-7-23-20(24-8-11)17-10-22-19-4-2-13(26)6-15(17)19/h1-10,21-22,25-26H
InChI Key:
BCHVDGBLKXHBKK-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(c[nH]2)c1ncc(cn1)c1c[nH]c2c1cc(O)cc2
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
342.358g/mol
Monoisotopic Mass:
342.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Cross-coupling reactions of indium organometallics with 2,5-dihalopyrimidines: synthesis of hyrtinadine A. | Organic letters 20080904 |
| Hyrtinadine A, a bis-indole alkaloid from a marine sponge. | Journal of natural products 20070301 |
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