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Home > Indoles and Oxindole > 94977-29-4
94977-29-4 | 2,2',2''-(1h-indole-1,2,3-triyltrimethanediyl)triphenol
CAS No: 94977-29-4 Catalog No: AG0066WC MDL No:
Product Description
Catalog Number:
AG0066WC
Chemical Name:
2,2',2''-(1h-indole-1,2,3-triyltrimethanediyl)triphenol
CAS Number:
94977-29-4
Molecular Formula:
C29H25NO3
Molecular Weight:
435.5137
IUPAC Name:
2-[[1,2-bis[(2-hydroxyphenyl)methyl]indol-3-yl]methyl]phenol
InChI:
InChI=1S/C29H25NO3/c31-27-14-6-1-9-20(27)17-24-23-12-4-5-13-25(23)30(19-22-11-3-8-16-29(22)33)26(24)18-21-10-2-7-15-28(21)32/h1-16,31-33H,17-19H2
InChI Key:
MOZLUMLVLFQWEH-UHFFFAOYSA-N
SMILES:
Oc1ccccc1Cc1c(Cc2ccccc2O)c2c(n1Cc1ccccc1O)cccc2
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.183g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
435.523g/mol
Monoisotopic Mass:
435.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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