Phenanthro[9,10-b]triphenylene, 9,18-bis[4-(1-methylethyl)phenyl]-, (.+-.)-

SpectraBase Compound ID	FouH4wXX2dQ
InChI	InChI=1S/C48H38/c1-29(2)31-21-25-33(26-22-31)43-45-39-17-9-5-13-35(39)37-15-7-11-19-41(37)47(45)44(34-27-23-32(24-28-34)30(3)4)48-42-20-12-8-16-38(42)36-14-6-10-18-40(36)46(43)48/h5-30H,1-4H3
InChIKey	JTJADLFWFNXDMU-UHFFFAOYSA-N Google Search
Mol Weight	614.8 g/mol
Molecular Formula	C48H38
Exact Mass	614.297351 g/mol

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SpectraBase Spectrum ID	qvWUcUK6VO
Name	Phenanthro[9,10-B]triphenylene, 9,18-bis[4-(1-methylethyl)phenyl]-, (.+-.)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	614.297351224 u
Formula	C48H38
InChI	InChI=1S/C48H38/c1-29(2)31-21-25-33(26-22-31)43-45-39-17-9-5-13-35(39)37-15-7-11-19-41(37)47(45)44(34-27-23-32(24-28-34)30(3)4)48-42-20-12-8-16-38(42)36-14-6-10-18-40(36)46(43)48/h5-30H,1-4H3
InChIKey	JTJADLFWFNXDMU-UHFFFAOYSA-N
Molecular Weight	614.832 g/mol
SMILES	C1=2C(C(C=3C=CC(=CC3)C(C)C)=C3C(=C1C=1C=CC(=CC1)C(C)C)C=1C(C4=CC=CC=C34)=CC=CC1)=C1C=CC=CC1=C1C2C=CC=C1