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2,3-Bis(5-(9-ethyl-9H-carbazol-3-yl)thiophen-2-yl)quinoxaline
SpectraBase Compound ID 8Gg6NTMeOnN
InChI InChI=1S/C44H32N4S2/c1-3-47-35-15-9-5-11-29(35)31-25-27(17-19-37(31)47)39-21-23-41(49-39)43-44(46-34-14-8-7-13-33(34)45-43)42-24-22-40(50-42)28-18-20-38-32(26-28)30-12-6-10-16-36(30)48(38)4-2/h5-26H,3-4H2,1-2H3
InChIKey BORDAXPNUAUBAO-UHFFFAOYSA-N
Mol Weight 680.9 g/mol
Molecular Formula C44H32N4S2
Exact Mass 680.206839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFvEuHrqABb
Name 2,3-bis(5-(9-Ethyl-9H-carbazol-3-yl)thiophen-2-yl)quinoxaline
Comments Computed using HOSE algorithm
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Exact Mass 680.206839394 u
Formula C44H32N4S2
InChI InChI=1S/C44H32N4S2/c1-3-47-35-15-9-5-11-29(35)31-25-27(17-19-37(31)47)39-21-23-41(49-39)43-44(46-34-14-8-7-13-33(34)45-43)42-24-22-40(50-42)28-18-20-38-32(26-28)30-12-6-10-16-36(30)48(38)4-2/h5-26H,3-4H2,1-2H3
InChIKey BORDAXPNUAUBAO-UHFFFAOYSA-N
SMILES C(C)N1C2=C(C3=C1C=CC(=C3)C1=CC=C(S1)C1=NC3=C(N=C1C1=CC=C(C4=CC=5C6=CC=CC=C6N(C5C=C4)CC)S1)C=CC=C3)C=CC=C2