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872050-48-1 | Pyrene, 1-[4-[9,9-dimethyl-7-(1-pyrenyl)-9H-fluoren-2-yl]phenyl]-
CAS No: 872050-48-1 Catalog No: AG004N2H MDL No:
Product Description
Catalog Number:
AG004N2H
Chemical Name:
Pyrene, 1-[4-[9,9-dimethyl-7-(1-pyrenyl)-9H-fluoren-2-yl]phenyl]-
CAS Number:
872050-48-1
Molecular Formula:
C53H34
Molecular Weight:
670.8371
IUPAC Name:
1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene
InChI:
InChI=1S/C53H34/c1-53(2)47-29-39(31-9-11-32(12-10-31)41-23-17-37-15-13-33-5-3-7-35-19-27-45(41)51(37)49(33)35)21-25-43(47)44-26-22-40(30-48(44)53)42-24-18-38-16-14-34-6-4-8-36-20-28-46(42)52(38)50(34)36/h3-30H,1-2H3
InChI Key:
PTZOMXIZWCAVRN-UHFFFAOYSA-N
SMILES:
CC1(C)c2cc(ccc2c2c1cc(cc2)c1ccc(cc1)c1ccc2c3c1ccc1c3c(cc2)ccc1)c1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
1320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
670.266g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
670.855g/mol
Monoisotopic Mass:
670.266g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.5
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