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797057-73-9 | 1,1':6',1''-Terpyrene
CAS No: 797057-73-9 Catalog No: AG005ILT MDL No:
Product Description
Catalog Number:
AG005ILT
Chemical Name:
1,1':6',1''-Terpyrene
CAS Number:
797057-73-9
Molecular Formula:
C48H26
Molecular Weight:
602.7200
IUPAC Name:
1,6-di(pyren-1-yl)pyrene
InChI:
InChI=1S/C48H26/c1-3-27-7-9-31-11-19-35(39-23-15-29(5-1)43(27)45(31)39)37-21-13-33-18-26-42-38(22-14-34-17-25-41(37)47(33)48(34)42)36-20-12-32-10-8-28-4-2-6-30-16-24-40(36)46(32)44(28)30/h1-26H
InChI Key:
ZURXYEKYJIILLY-UHFFFAOYSA-N
SMILES:
c1cc2ccc3c4c2c(c1)ccc4ccc3c1ccc2c3c1ccc1c3c(cc2)c(cc1)c1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
602.203g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.736g/mol
Monoisotopic Mass:
602.203g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.5
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