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3073-05-0 | 1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl
CAS No: 3073-05-0 Catalog No: AG00312O MDL No:MFCD00059012
Product Description
Catalog Number:
AG00312O
Chemical Name:
1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl
CAS Number:
3073-05-0
Molecular Formula:
C30H22
Molecular Weight:
382.4957
MDL Number:
MFCD00059012
IUPAC Name:
1,4-bis(4-phenylphenyl)benzene
InChI:
InChI=1S/C30H22/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-30(22-20-29)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H
InChI Key:
OMCUOJTVNIHQTI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccccc1
NSC Number:
90723
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.172g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.506g/mol
Monoisotopic Mass:
382.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
Literature
| Title | Journal |
|---|---|
| Elucidation of the orientational order and the phase diagram of p-quinquephenyl. | The journal of physical chemistry. B 20110217 |
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