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122648-99-1 | Anthracene, 9,10-di-2-naphthalenyl-
CAS No: 122648-99-1 Catalog No: AG0017KZ MDL No:MFCD00028944
Product Description
Catalog Number:
AG0017KZ
Chemical Name:
Anthracene, 9,10-di-2-naphthalenyl-
CAS Number:
122648-99-1
Molecular Formula:
C34H22
Molecular Weight:
430.5385
MDL Number:
MFCD00028944
IUPAC Name:
9,10-dinaphthalen-2-ylanthracene
InChI:
InChI=1S/C34H22/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H
InChI Key:
VIZUPBYFLORCRA-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(c1ccc3c(c1)cccc3)c1c(c2c2ccc3c(c2)cccc3)cccc1
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.172g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.55g/mol
Monoisotopic Mass:
430.172g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
Literature
| Title | Journal |
|---|---|
| Electronic properties of anthracene derivatives for blue light emitting electroluminescent layers in organic light emitting diodes: a density functional theory study. | The journal of physical chemistry. A 20060126 |
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