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1-(Dimethylamino)-5-{[4'-(5"-<4"'-ethynylphenyl>ethynyl)-1"-naphthylethynyl]-1'-phenylethynyl}-naphthalene
SpectraBase Compound ID Mr5QG8Bf9k
InChI InChI=1S/C42H27N/c1-4-31-17-19-32(20-18-31)25-28-35-9-5-13-39-36(10-6-12-38(35)39)29-26-33-21-23-34(24-22-33)27-30-37-11-7-15-41-40(37)14-8-16-42(41)43(2)3/h1,5-24H,2-3H3
InChIKey PCYHHAGKGFICGR-UHFFFAOYSA-N
Mol Weight 545.7 g/mol
Molecular Formula C42H27N
Exact Mass 545.21435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eCYML8SUiQ
Name 1-(Dimethylamino)-5-{[4'-(5"-<4"'-ethynylphenyl>ethynyl)-1"-naphthylethynyl]-1'-phenylethynyl}-naphthalene
Alternate Name(s) 5-[2-[4-[2-[5-[2-(4-ethynylphenyl)ethynyl]-1-naphthalenyl]ethynyl]phenyl]ethynyl]-N,N-dimethyl-1-naphthalenamine 5-[2-[4-[2-[5-[2-(4-ethynylphenyl)ethynyl]naphthalen-1-yl]ethynyl]phenyl]ethynyl]-N,N-dimethylnaphthalen-1-amine 5-[2-[4-[2-[5-[2-(4-ethynylphenyl)ethynyl]-1-naphthyl]ethynyl]phenyl]ethynyl]-N,N-dimethyl-naphthalen-1-amine 5-[2-[4-[2-[5-[2-(4-ethynylphenyl)ethynyl]naphthalen-1-yl]ethynyl]phenyl]ethynyl]-N,N-dimethyl-naphthalen-1-amine
Comments Less than 3 mono-isotopic peaks
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Formula C42H27N
InChI InChI=1S/C42H27N/c1-4-31-17-19-32(20-18-31)25-28-35-9-5-13-39-36(10-6-12-38(35)39)29-26-33-21-23-34(24-22-33)27-30-37-11-7-15-41-40(37)14-8-16-42(41)43(2)3/h1,5-24H,2-3H3
InChIKey PCYHHAGKGFICGR-UHFFFAOYSA-N
Molecular Weight 545.685 g/mol
SMILES C(#Cc1ccc(C#Cc2c3c(c(C#Cc4ccc(C#C)cc4)ccc3)ccc2)cc1)c1c2c(c(N(C)C)ccc2)ccc1
SPLASH splash10-0002-0010090000-1b1e56b83cdbe7586260
Source of Spectrum H-2005-366-7
Wiley ID 1562151