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Home > Indoles and Oxindole > 1878151-58-6
1878151-58-6 | 5,8-di-1H-indol-3-yl-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-ol
CAS No: 1878151-58-6 Catalog No: AG01EQ5X MDL No:
Product Description
Catalog Number:
AG01EQ5X
Chemical Name:
5,8-di-1H-indol-3-yl-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-ol
CAS Number:
1878151-58-6
Molecular Formula:
C28H24N2O3
Molecular Weight:
436.5018
IUPAC Name:
5,8-bis(1H-indol-3-yl)-7-methoxy-2,2-dimethylchromen-6-ol
InChI:
InChI=1S/C28H24N2O3/c1-28(2)13-12-18-23(19-14-29-21-10-6-4-8-16(19)21)25(31)27(32-3)24(26(18)33-28)20-15-30-22-11-7-5-9-17(20)22/h4-15,29-31H,1-3H3
InChI Key:
XQUDQEFLDBAHTH-UHFFFAOYSA-N
SMILES:
COc1c(c2OC(C)(C)C=Cc2c(c1O)c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.179g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
436.511g/mol
Monoisotopic Mass:
436.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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