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1254039-84-3 | Pentacene, 6,13-bis([1,1'-biphenyl]-4-yl)-
CAS No: 1254039-84-3 Catalog No: AG000NMR MDL No:
Product Description
Catalog Number:
AG000NMR
Chemical Name:
Pentacene, 6,13-bis([1,1'-biphenyl]-4-yl)-
CAS Number:
1254039-84-3
Molecular Formula:
C46H30
Molecular Weight:
582.7304
IUPAC Name:
6,13-bis(4-phenylphenyl)pentacene
InChI:
InChI=1S/C46H30/c1-3-11-31(12-4-1)33-19-23-35(24-20-33)45-41-27-37-15-7-9-17-39(37)29-43(41)46(44-30-40-18-10-8-16-38(40)28-42(44)45)36-25-21-34(22-26-36)32-13-5-2-6-14-32/h1-30H
InChI Key:
PZPCFCMBWVLRFR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)c1c2cc3ccccc3cc2c(c2c1cc1ccccc1c2)c1ccc(cc1)c1ccccc1
Properties
Complexity:
835
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.235g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
582.746g/mol
Monoisotopic Mass:
582.235g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.4
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