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918778-85-5 | Phenanthrene, 3,6-bis[2-(4-iodophenyl)ethynyl]-
CAS No: 918778-85-5 Catalog No: AG006BXN MDL No:
Product Description
Catalog Number:
AG006BXN
Chemical Name:
Phenanthrene, 3,6-bis[2-(4-iodophenyl)ethynyl]-
CAS Number:
918778-85-5
Molecular Formula:
C30H16I2
Molecular Weight:
630.2570
IUPAC Name:
3,6-bis[2-(4-iodophenyl)ethynyl]phenanthrene
InChI:
InChI=1S/C30H16I2/c31-27-15-7-21(8-16-27)1-3-23-5-11-25-13-14-26-12-6-24(20-30(26)29(25)19-23)4-2-22-9-17-28(32)18-10-22/h5-20H
InChI Key:
PELMWGLNYLSPKD-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C#Cc1ccc2c(c1)c1cc(C#Cc3ccc(cc3)I)ccc1cc2
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
629.934g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
630.267g/mol
Monoisotopic Mass:
629.934g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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