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113947-44-7 | 9H-Carbazole, 3,6-diiodo-9-(triphenylmethyl)-
CAS No: 113947-44-7 Catalog No: AG000A5I MDL No:
Product Description
Catalog Number:
AG000A5I
Chemical Name:
9H-Carbazole, 3,6-diiodo-9-(triphenylmethyl)-
CAS Number:
113947-44-7
Molecular Formula:
C31H21I2N
Molecular Weight:
661.3141
IUPAC Name:
3,6-diiodo-9-tritylcarbazole
InChI:
InChI=1S/C31H21I2N/c32-25-16-18-29-27(20-25)28-21-26(33)17-19-30(28)34(29)31(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-21H
InChI Key:
QRRVCONCVSKHFZ-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)c1cc(I)ccc1n2C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
660.976g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
661.325g/mol
Monoisotopic Mass:
660.976g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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