N(2)-[2,5-di(t-butyl)phenyl]-3,4:9,10-perylenetetracarboxydiimide

SpectraBase Compound ID	FeVLv8DtFd
InChI	InChI=1S/C38H30N2O4/c1-37(2,3)18-7-16-27(38(4,5)6)28(17-18)40-35(43)25-14-10-21-19-8-12-23-31-24(34(42)39-33(23)41)13-9-20(29(19)31)22-11-15-26(36(40)44)32(25)30(21)22/h7-17H,1-6H3,(H,39,41,42)
InChIKey	SDSVPFKHMGNWAG-UHFFFAOYSA-N Google Search
Mol Weight	578.7 g/mol
Molecular Formula	C38H30N2O4
Exact Mass	578.220557 g/mol

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SpectraBase Spectrum ID	CW2PCZEOeKB
Name	N(2)-[2,5-di(t-butyl)phenyl]-3,4:9,10-perylenetetracarboxydiimide
Alternate Name(s)	2-(2,5-ditert-butylphenyl)isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
CAS Registry Number	130296-50-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H30N2O4
InChI	InChI=1S/C38H30N2O4/c1-37(2,3)18-7-16-27(38(4,5)6)28(17-18)40-35(43)25-14-10-21-19-8-12-23-31-24(34(42)39-33(23)41)13-9-20(29(19)31)22-11-15-26(36(40)44)32(25)30(21)22/h7-17H,1-6H3,(H,39,41,42)
InChIKey	SDSVPFKHMGNWAG-UHFFFAOYSA-N
Molecular Weight	578.668 g/mol
SMILES	N1C(c2ccc3c4c2c(C1=O)ccc4c1ccc2C(N(C(c4ccc3c1c24)=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)=O)=O
SPLASH	splash10-00di-0000090000-0385e0ad8bad00a981e9
Source of Spectrum	K-124-534-1
Wiley ID	1408393