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87031-45-6 | 4H-Pyran, 4-(3,3-diphenyl-1,2-propadienylidene)-2,6-diphenyl-
CAS No: 87031-45-6 Catalog No: AG004NJU MDL No:
Product Description
Catalog Number:
AG004NJU
Chemical Name:
4H-Pyran, 4-(3,3-diphenyl-1,2-propadienylidene)-2,6-diphenyl-
CAS Number:
87031-45-6
Molecular Formula:
C32H22O
Molecular Weight:
422.5165
IUPAC Name:
4-(3,3-diphenylpropa-1,2-dienylidene)-2,6-diphenylpyran
InChI:
InChI=1S/C32H22O/c1-5-13-26(14-6-1)30(27-15-7-2-8-16-27)22-21-25-23-31(28-17-9-3-10-18-28)33-32(24-25)29-19-11-4-12-20-29/h1-20,23-24H
InChI Key:
HMOSNAUTCKXBLE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CC(=C=C=C(c2ccccc2)c2ccccc2)C=C(O1)c1ccccc1
Properties
Complexity:
749
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.167g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.527g/mol
Monoisotopic Mass:
422.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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