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Home > Bromides > 1174043-12-9
1174043-12-9 | 1H-Phenanthro[9,10-d]imidazole, 2-(2,5-dibromo-3-thienyl)-6,9-dihexyl-1-(4-hexylphenyl)-
CAS No: 1174043-12-9 Catalog No: AG000E95 MDL No:
Product Description
Catalog Number:
AG000E95
Chemical Name:
1H-Phenanthro[9,10-d]imidazole, 2-(2,5-dibromo-3-thienyl)-6,9-dihexyl-1-(4-hexylphenyl)-
CAS Number:
1174043-12-9
Molecular Formula:
C43H50Br2N2S
Molecular Weight:
786.7435
IUPAC Name:
2-(2,5-dibromothiophen-3-yl)-6,9-dihexyl-3-(4-hexylphenyl)phenanthro[9,10-d]imidazole
InChI:
InChI=1S/C43H50Br2N2S/c1-4-7-10-13-16-30-19-23-33(24-20-30)47-41-35-26-22-32(18-15-12-9-6-3)28-37(35)36-27-31(17-14-11-8-5-2)21-25-34(36)40(41)46-43(47)38-29-39(44)48-42(38)45/h19-29H,4-18H2,1-3H3
InChI Key:
IGKHNFQJQVKOPX-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)n1c(nc2c1c1ccc(cc1c1c2ccc(c1)CCCCCC)CCCCCC)c1cc(sc1Br)Br
Properties
Complexity:
927
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
786.204g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
786.755g/mol
Monoisotopic Mass:
784.206g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.9
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