(5S,10R,15R)-5,10,15-Triphenyl-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluorene

SpectraBase Compound ID	JKPYdWshJo1
InChI	InChI=1S/C45H30/c1-4-16-28(17-5-1)37-31-22-10-13-25-34(31)40-43(37)41-35-26-14-11-23-32(35)38(29-18-6-2-7-19-29)45(41)42-36-27-15-12-24-33(36)39(44(40)42)30-20-8-3-9-21-30/h1-27,37-39H/t37-,38-,39+/m1/s1
InChIKey	OCGRCZHTXRWAPG-PHAUOLPESA-N Google Search
Mol Weight	570.7 g/mol
Molecular Formula	C45H30
Exact Mass	570.234751 g/mol

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SpectraBase Spectrum ID	1PeTb2yzHCv
Name	(5S,10R,15R)-5,10,15-Triphenyl-10,15-dihydro-5H-diindeno[1,2-A;1',2'-C]fluorene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	570.234750966 u
Formula	C45H30
InChI	InChI=1S/C45H30/c1-4-16-28(17-5-1)37-31-22-10-13-25-34(31)40-43(37)41-35-26-14-11-23-32(35)38(29-18-6-2-7-19-29)45(41)42-36-27-15-12-24-33(36)39(44(40)42)30-20-8-3-9-21-30/h1-27,37-39H/t37-,38-,39+/m1/s1
InChIKey	OCGRCZHTXRWAPG-PHAUOLPESA-N
Molecular Weight	570.735 g/mol
SMILES	C=12C3=C(C=4C=CC=CC4[C@@]3(C=3C=CC=CC3)[H])C3=C(C1[C@](C=1C=CC=CC1)(C1=C2C=CC=C1)[H])C1=C(C=CC=C1)[C@]3(C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.98351