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N(2)-[ 6,8(1),16-Triazatetracyclo[11.4.0(5,17).0(7,16).0(9,14)]heptadeca-1,3,5(17),6,9,11,13-heptaenyl]-N(1),N(3)-diphenyl guanidine
SpectraBase Compound ID AEkNUCVIxYS
InChI InChI=1S/C27H21N5/c1-3-12-21(13-4-1)28-26(29-22-14-5-2-6-15-22)32-24-17-9-7-11-20(24)19-31-25-18-10-8-16-23(25)30-27(31)32/h1-18H,19H2,(H,28,29)
InChIKey YBXOPUUTVPWQJA-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C27H21N5
Exact Mass 415.179696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XKOaisHpof
Name N(2)-[ 6,8(1),16-Triazatetracyclo[11.4.0(5,17).0(7,16).0(9,14)]heptadeca-1,3,5(17),6,9,11,13-heptaenyl]-N(1),N(3)-diphenyl guanidine
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Formula C27H21N5
InChI InChI=1S/C27H21N5/c1-3-12-21(13-4-1)28-26(29-22-14-5-2-6-15-22)32-24-17-9-7-11-20(24)19-31-25-18-10-8-16-23(25)30-27(31)32/h1-18H,19H2,(H,28,29)
InChIKey YBXOPUUTVPWQJA-UHFFFAOYSA-N
Molecular Weight 415.500 g/mol
SMILES N(\C(N1c2[n](Cc3ccccc13)c1ccccc1n2)=N\c1ccccc1)c1ccccc1
SPLASH splash10-001i-0900000000-833f80b9af5a56e63e96
Source of Spectrum K-127-1648-6
Synonyms N,N'-Diphenyl-5H-4b,10,11-triaza-benzo[b]fluorene-10-carboxamidine N,N'-diphenylbenzimidazo[2,1-b]quinazoline-5(12H)-carboximidamide
Wiley ID 1376074