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N-(1-Hexylheptyl)-N'-(3-fluorene-9-onyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID IbrjZtneUir
InChI InChI=1S/C50H42N2O5/c1-3-5-7-9-13-28(14-10-8-6-4-2)51-47(54)37-23-19-31-33-21-25-39-45-40(26-22-34(43(33)45)32-20-24-38(48(51)55)44(37)42(31)32)50(57)52(49(39)56)29-17-18-36-41(27-29)30-15-11-12-16-35(30)46(36)53/h11-12,15-28H,3-10,13-14H2,1-2H3
InChIKey QJCSCRDNLUBQNK-UHFFFAOYSA-N
Mol Weight 750.9 g/mol
Molecular Formula C50H42N2O5
Exact Mass 750.309372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2HM0Ei3bH7
Name N-(1-Hexylheptyl)-N'-(3-fluorene-9-onyl)perylene-3,4:9,10-tetracarboxylic bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H42N2O5
InChI InChI=1S/C50H42N2O5/c1-3-5-7-9-13-28(14-10-8-6-4-2)51-47(54)37-23-19-31-33-21-25-39-45-40(26-22-34(43(33)45)32-20-24-38(48(51)55)44(37)42(31)32)50(57)52(49(39)56)29-17-18-36-41(27-29)30-15-11-12-16-35(30)46(36)53/h11-12,15-28H,3-10,13-14H2,1-2H3
InChIKey QJCSCRDNLUBQNK-UHFFFAOYSA-N
Molecular Weight 750.895 g/mol
SMILES C1(N(C(c2c3c4c(c5ccc6C(N(C(c7c6c5c(c4ccc13)cc7)=O)C(CCCCCC)CCCCCC)=O)cc2)=O)c1cc2-c3c(cccc3)C(c2cc1)=O)=O
SPLASH splash10-014i-0000090000-7a1eb6be3cac63b20eba
Source of Spectrum QF-8-5641-9
Synonyms 2-(1-hexylheptyl)-9-(9-oxo-9H-fluoren-3-yl)isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
Wiley ID 1558115