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(E)-12c-[4-(Phenyldiazenyl)phenyl]ethynyl-4,8,12-tri-n-propyl-4,8,12-triazatriangulene
SpectraBase Compound ID 3P1sOH1jQ6y
InChI InChI=1S/C42H39N5/c1-4-27-45-33-15-10-17-35-39(33)42(26-25-30-21-23-32(24-22-30)44-43-31-13-8-7-9-14-31)40-34(45)16-11-18-36(40)47(29-6-3)38-20-12-19-37(41(38)42)46(35)28-5-2/h7-24H,4-6,27-29H2,1-3H3/b44-43+
InChIKey UGWBTMWMIHGQDJ-VGFSZAGXSA-N
Mol Weight 613.8 g/mol
Molecular Formula C42H39N5
Exact Mass 613.320546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3DNTajPgx4
Name (E)-12c-[4-(Phenyldiazenyl)phenyl]ethynyl-4,8,12-tri-n-propyl-4,8,12-triazatriangulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H39N5
InChI InChI=1S/C42H39N5/c1-4-27-45-33-15-10-17-35-39(33)42(26-25-30-21-23-32(24-22-30)44-43-31-13-8-7-9-14-31)40-34(45)16-11-18-36(40)47(29-6-3)38-20-12-19-37(41(38)42)46(35)28-5-2/h7-24H,4-6,27-29H2,1-3H3/b44-43+
InChIKey UGWBTMWMIHGQDJ-VGFSZAGXSA-N
Molecular Weight 613.809 g/mol
SMILES C12(c3c4cccc3N(c3c1c(N(CCC)c1c2c(N4CCC)ccc1)ccc3)CCC)C#Cc1ccc(\N=N\c2ccccc2)cc1
SPLASH splash10-0pvi-0988401000-0fb4ddb1db7a077c69e0
Source of Spectrum U1-2010-5050-6a
Wiley ID 1664320