For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,7-Di(di-n-hexylamino)-3,6-diphenylthieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione

View entire compound with spectra: 1 MS (GC)

2,7-Di(di-n-hexylamino)-3,6-diphenylthieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
SpectraBase Compound ID KbovkOQUw1y
InChI InChI=1S/C44H62N6O2S/c1-5-9-13-23-31-47(32-24-14-10-6-2)43-45-39-37(41(51)49(43)35-27-19-17-20-28-35)38-40(53-39)46-44(50(42(38)52)36-29-21-18-22-30-36)48(33-25-15-11-7-3)34-26-16-12-8-4/h17-22,27-30H,5-16,23-26,31-34H2,1-4H3
InChIKey ACSHVSRBQUOTAP-UHFFFAOYSA-N
Mol Weight 739.1 g/mol
Molecular Formula C44H62N6O2S
Exact Mass 738.465496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID D4RQPmuNQ0i
Name 2,7-Di(di-n-hexylamino)-3,6-diphenylthieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
Alternate Name(s) 2,7-bis(dihexylamino)-3,6-diphenyl-3,6-dihydropyrimido[5',4':4,5]thieno[2,3-d]pyrimidine-4,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H62N6O2S
InChI InChI=1S/C44H62N6O2S/c1-5-9-13-23-31-47(32-24-14-10-6-2)43-45-39-37(41(51)49(43)35-27-19-17-20-28-35)38-40(53-39)46-44(50(42(38)52)36-29-21-18-22-30-36)48(33-25-15-11-7-3)34-26-16-12-8-4/h17-22,27-30H,5-16,23-26,31-34H2,1-4H3
InChIKey ACSHVSRBQUOTAP-UHFFFAOYSA-N
Molecular Weight 739.080 g/mol
SMILES c12c3c(N=C(N(C3=O)c3ccccc3)N(CCCCCC)CCCCCC)sc1N=C(N(C2=O)c1ccccc1)N(CCCCCC)CCCCCC
SPLASH splash10-000i-0200101900-40a0d36ed51bbc1f0b59
Source of Spectrum F-69-8369-6
Wiley ID 1595891