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4'-[9'-(1"-Hexylheptyl)-1',3',8',10'-tetraoxo-3',8',9',10'-tetrahydro-1H-anthra[2,1,9-def : 6,5,10-d',e',f ']diisoquinoline-2'-ylmethyl]-biphenyl-4-carbaldehyde
SpectraBase Compound ID 8pznNrpZK26
InChI InChI=1S/C51H46N2O5/c1-3-5-7-9-11-35(12-10-8-6-4-2)53-50(57)42-27-23-38-36-21-25-40-46-41(26-22-37(44(36)46)39-24-28-43(51(53)58)47(42)45(38)39)49(56)52(48(40)55)29-31-13-17-33(18-14-31)34-19-15-32(30-54)16-20-34/h13-28,30,35H,3-12,29H2,1-2H3
InChIKey LCZMKPRTHCLSFH-UHFFFAOYSA-N
Mol Weight 766.9 g/mol
Molecular Formula C51H46N2O5
Exact Mass 766.340673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSVYP7Vkta9
Name 4'-[9'-(1"-Hexylheptyl)-1',3',8',10'-tetraoxo-3',8',9',10'-tetrahydro-1H-anthra[2,1,9-def : 6,5,10-d',e',f ']diisoquinoline-2'-ylmethyl]-biphenyl-4-carbaldehyde
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Formula C51H46N2O5
InChI InChI=1S/C51H46N2O5/c1-3-5-7-9-11-35(12-10-8-6-4-2)53-50(57)42-27-23-38-36-21-25-40-46-41(26-22-37(44(36)46)39-24-28-43(51(53)58)47(42)45(38)39)49(56)52(48(40)55)29-31-13-17-33(18-14-31)34-19-15-32(30-54)16-20-34/h13-28,30,35H,3-12,29H2,1-2H3
InChIKey LCZMKPRTHCLSFH-UHFFFAOYSA-N
Molecular Weight 766.938 g/mol
SMILES C1(N(C(c2ccc3c4ccc5C(N(C(c6ccc(c7c3c2c1cc7)c4c56)=O)C(CCCCCC)CCCCCC)=O)=O)Cc1ccc(cc1)-c1ccc(C=O)cc1)=O
SPLASH splash10-001j-0104090300-81fd535a504ac9b98603
Source of Spectrum QE-14-180-14
Wiley ID 1692610