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88121-52-2 | Anthracene, 9,9'-(1,2-ethanediyl)bis[10-(1-naphthalenylmethyl)-
CAS No: 88121-52-2 Catalog No: AG004E42 MDL No:
Product Description
Catalog Number:
AG004E42
Chemical Name:
Anthracene, 9,9'-(1,2-ethanediyl)bis[10-(1-naphthalenylmethyl)-
CAS Number:
88121-52-2
Molecular Formula:
C52H38
Molecular Weight:
662.8581
IUPAC Name:
9-(naphthalen-1-ylmethyl)-10-[2-[10-(naphthalen-1-ylmethyl)anthracen-9-yl]ethyl]anthracene
InChI:
InChI=1S/C52H38/c1-3-21-39-35(15-1)17-13-19-37(39)33-51-45-27-9-5-23-41(45)49(42-24-6-10-28-46(42)51)31-32-50-43-25-7-11-29-47(43)52(48-30-12-8-26-44(48)50)34-38-20-14-18-36-16-2-4-22-40(36)38/h1-30H,31-34H2
InChI Key:
WVQWPHBYTUJLAT-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(CCc1c3ccccc3c(c3c1cccc3)Cc1cccc3c1cccc3)c1c(c2Cc2cccc3c2cccc3)cccc1
Properties
Complexity:
1000
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
662.297g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
662.876g/mol
Monoisotopic Mass:
662.297g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.5
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