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Dodec-1,12-diyl-bis[(diphenyl)pyrrolo[h]dibenzo[b,e]bicyclo[2.2.2]octane]
SpectraBase Compound ID 2ZiyWiMl7Qy
InChI InChI=1S/C72H64N2/c1(3-5-7-29-47-73-69(49-31-13-9-14-32-49)65-61-53-39-21-23-41-55(53)62(56-42-24-22-40-54(56)61)66(65)70(73)50-33-15-10-16-34-50)2-4-6-8-30-48-74-71(51-35-17-11-18-36-51)67-63-57-43-25-27-45-59(57)64(60-46-28-26-44-58(60)63)68(67)72(74)52-37-19-12-20-38-52/h9-28,31-46,61-64H,1-8,29-30,47-48H2/t61-,62?,63-,64?
InChIKey FMQIWRZEMASPAO-FADSJKMFSA-N
Mol Weight 957.3 g/mol
Molecular Formula C72H64N2
Exact Mass 956.50695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0eVBx3pWnP
Name Dodec-1,12-diyl-bis[(diphenyl)pyrrolo[h]dibenzo[b,e]bicyclo[2.2.2]octane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C72H64N2
InChI InChI=1S/C72H64N2/c1(3-5-7-29-47-73-69(49-31-13-9-14-32-49)65-61-53-39-21-23-41-55(53)62(56-42-24-22-40-54(56)61)66(65)70(73)50-33-15-10-16-34-50)2-4-6-8-30-48-74-71(51-35-17-11-18-36-51)67-63-57-43-25-27-45-59(57)64(60-46-28-26-44-58(60)63)68(67)72(74)52-37-19-12-20-38-52/h9-28,31-46,61-64H,1-8,29-30,47-48H2/t61-,62?,63-,64?
InChIKey FMQIWRZEMASPAO-FADSJKMFSA-N
Molecular Weight 957.318 g/mol
SMILES c12c(c(-c3ccccc3)[n](c1-c1ccccc1)CCCCCCCCCCCC[n]1c(c3C4c5ccccc5C(c3c1-c1ccccc1)c1ccccc41)-c1ccccc1)C1c3c(C2c2c1cccc2)cccc3
SPLASH splash10-0a4i-0030620009-267856522e90102a20c9
Source of Spectrum J-59-4310-15
Synonyms 17-(12-{16,18-diphenyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9(14),10,12,15,18-octaen-17-yl}dodecyl)-16,18-diphenyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9(14),10,12,15,18-octaene
Wiley ID 1418263