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205985-80-4 | 9,9':10',9''-Teranthracene (9CI)
CAS No: 205985-80-4 Catalog No: AG002AG2 MDL No:
Product Description
Catalog Number:
AG002AG2
Chemical Name:
9,9':10',9''-Teranthracene (9CI)
CAS Number:
205985-80-4
Molecular Formula:
C42H26
Molecular Weight:
530.6558
IUPAC Name:
9,10-di(anthracen-9-yl)anthracene
InChI:
InChI=1S/C42H26/c1-5-17-31-27(13-1)25-28-14-2-6-18-32(28)39(31)41-35-21-9-11-23-37(35)42(38-24-12-10-22-36(38)41)40-33-19-7-3-15-29(33)26-30-16-4-8-20-34(30)40/h1-26H
InChI Key:
LSEPQLOSKGYAPM-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(c1c(c2c2c3ccccc3cc3c2cccc3)cccc1)c1c2ccccc2cc2c1cccc2
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.203g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.67g/mol
Monoisotopic Mass:
530.203g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
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