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15,15'-Bis(1-methylpropyl)-10,10',20,20'-tetraphenyl-5,5'-biporphyrin
SpectraBase Compound ID 2No2mVb3cLX
InChI InChI=1S/C72H58N8/c1-5-43(3)65-49-27-31-53(73-49)67(45-19-11-7-12-20-45)57-35-39-61(77-57)71(62-40-36-58(78-62)68(46-21-13-8-14-22-46)54-32-28-50(65)74-54)72-63-41-37-59(79-63)69(47-23-15-9-16-24-47)55-33-29-51(75-55)66(44(4)6-2)52-30-34-56(76-52)70(48-25-17-10-18-26-48)60-38-42-64(72)80-60/h7-44,73,75,78,80H,5-6H2,1-4H3/b65-49-,65-50-,66-51-,66-52-,67-53-,67-57-,68-54-,68-58-,69-55-,69-59-,70-56-,70-60-,71-61+,71-62+,72-63+,72-64+
InChIKey HSEXILIHLOLRBW-KPIOFNLHSA-N
Mol Weight 1035.3 g/mol
Molecular Formula C72H58N8
Exact Mass 1034.478444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID p3zAsGA0E1
Name 15,15'-Bis(1-methylpropyl)-10,10',20,20'-tetraphenyl-5,5'-biporphyrin
Alternate Name(s) 12-(butan-2-yl)-2-[12-(butan-2-yl)-7,17-diphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]-7,17-diphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
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Formula C72H58N8
InChI InChI=1S/C72H58N8/c1-5-43(3)65-49-27-31-53(73-49)67(45-19-11-7-12-20-45)57-35-39-61(77-57)71(62-40-36-58(78-62)68(46-21-13-8-14-22-46)54-32-28-50(65)74-54)72-63-41-37-59(79-63)69(47-23-15-9-16-24-47)55-33-29-51(75-55)66(44(4)6-2)52-30-34-56(76-52)70(48-25-17-10-18-26-48)60-38-42-64(72)80-60/h7-44,73,75,78,80H,5-6H2,1-4H3/b65-49-,65-50-,66-51-,66-52-,67-53-,67-57-,68-54-,68-58-,69-55-,69-59-,70-56-,70-60-,71-61+,71-62+,72-63+,72-64+
InChIKey HSEXILIHLOLRBW-KPIOFNLHSA-N
Molecular Weight 1035.312 g/mol
SMILES [nH]1c2c(c3nc(c(-c4c5nc(c(c6ccc(c(c7nc(c(c8[nH]c4cc8)-c4ccccc4)cc7)C(CC)C)[nH]6)-c4ccccc4)cc5)c4ccc(c(c5nc(c(c1cc2)C(CC)C)cc5)-c1ccccc1)[nH]4)cc3)-c1ccccc1
SPLASH splash10-0019-9000000000-941251193e4c5603f23f
Source of Spectrum KC-0-3620-36
Wiley ID 831924