1,2,3,4-tetraphenyl[5,6,7,8,9,10,11,12-(2)H(8)]triphenylene

SpectraBase Compound ID	2X3hFNCWArv
InChI	InChI=1S/C42H28/c1-5-17-29(18-6-1)37-38(30-19-7-2-8-20-30)40(32-23-11-4-12-24-32)42-36-28-16-14-26-34(36)33-25-13-15-27-35(33)41(42)39(37)31-21-9-3-10-22-31/h1-28H/i13D,14D,15D,16D,25D,26D,27D,28D
InChIKey	LOLVMPDWIPHPDS-BJKITNDTSA-N Google Search
Mol Weight	540.7 g/mol
Molecular Formula	C42H202D8
Exact Mass	540.269315 g/mol

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SpectraBase Spectrum ID	L2De3MTKtna
Name	1,2,3,4-tetraphenyl[5,6,7,8,9,10,11,12-(2)H(8)]triphenylene
CAS Registry Number	113451-50-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H20D8
InChI	InChI=1S/C42H28/c1-5-17-29(18-6-1)37-38(30-19-7-2-8-20-30)40(32-23-11-4-12-24-32)42-36-28-16-14-26-34(36)33-25-13-15-27-35(33)41(42)39(37)31-21-9-3-10-22-31/h1-28H/i13D,14D,15D,16D,25D,26D,27D,28D
InChIKey	LOLVMPDWIPHPDS-BJKITNDTSA-N
Molecular Weight	540.735 g/mol
SMILES	c12c(c(-c3ccccc3)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)c1c(c([2D])c(c(c1c1c2c(c(c([2D])c1[2D])[2D])[2D])[2D])[2D])[2D]
SPLASH	splash10-0006-0000190000-5c94d7c7bba231a5aadd
Source of Spectrum	J-53-1689-8
Wiley ID	1403683