2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)

C30H36Y3-4 — CID 162057595

IUPAC2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)
SMILESCC.CC.CC.CC.[Y].[Y].[Y].[c-]1ccccc1-c1[c-]c2cc[c-]c(-c3[c-]cccc3)c2cc1
InChIInChI=1S/C22H12.4C2H6.3Y/c1-3-8-17(9-4-1)19-14-15-22-20(16-19)12-7-13-21(22)18-10-5-2-6-11-18;4*1-2;;;/h1-8,10,12,14-15H;4*1-2H3;;;/q-4;;;;;;;
InChIKeyAFFQALRAZOXGGK-UHFFFAOYSA-N
MW663.34 g/mol
LogP9.47
Rot. Bonds2

About 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)

2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium) (PubChem CID 162057595) has the molecular formula C30H36Y3-4 and a molecular weight of 663.34 g/mol. Its IUPAC name is 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium).

Molecular Properties

Compound Name2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)
PubChem CID162057595
Molecular FormulaC30H36Y3-4
Molecular Weight663.34 g/mol
Exact Mass663.00
IUPAC Name2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)
SMILESCC.CC.CC.CC.[Y].[Y].[Y].[c-]1ccccc1-c1[c-]c2cc[c-]c(-c3[c-]cccc3)c2cc1
InChIInChI=1S/C22H12.4C2H6.3Y/c1-3-8-17(9-4-1)19-14-15-22-20(16-19)12-7-13-21(22)18-10-5-2-6-11-18;4*1-2;;;/h1-8,10,12,14-15H;4*1-2H3;;;/q-4;;;;;;;
InChIKeyAFFQALRAZOXGGK-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.34
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
9-methyl-4-phenyl-3H-carbazol-3-ide;yttrium
CID 153420914
ethane;phenylbenzene;pyrimidine;1,3,5-triazine;(yttrium)
CID 159116160
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
1-phenyl-4-[4-[4-(4-phenylbenzene-3,6-diid-1-yl)benzene-3,6-diid-1-yl]benzene-3,6-diid-1-yl]benzene-3,6-diide;pentakis(yttrium)
CID 153293138
ethane;1-methyl-3-phenylbenzene-4-ide;1-methyl-4-phenylbenzene-5-ide;(yttrium)
CID 157288339
ethane;2-(2-methylbenzene-6-id-1-yl)-1H-naphthalen-1-ide;2-(3-methylbenzene-2-id-1-yl)-1H-naphthalen-1-ide;2-(3-methylbenzene-6-id-1-yl)-1H-naphthalen-1-ide;2-(4-methylbenzene-6-id-1-yl)-1H-naphthalen-1-ide;4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;4-methyl-1-(3H-naphthalen-3-id-2-yl)-2H-naphthalen-2-ide;4-methyl-1-phenyl-2H-naphthalen-2-ide;(yttrium)
CID 161319785
3-phenyl-4H-quinolin-4-ide;yttrium
CID 176728716
N,N-dimethyl-2-phenyl-6-phenylbenzene-5-id-1-amine;yttrium
CID 171607350
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
CID 160503199

Frequently Asked Questions

What is the IUPAC name of 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)?
The IUPAC name of 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium) (CID 162057595) is 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium).
What is the SMILES notation for 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)?
The canonical SMILES for 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium) is CC.CC.CC.CC.[Y].[Y].[Y].[c-]1ccccc1-c1[c-]c2cc[c-]c(-c3[c-]cccc3)c2cc1.
What is the InChIKey of 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)?
The InChIKey is AFFQALRAZOXGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12.4C2H6.3Y/c1-3-8-17(9-4-1)19-14-15-22-20(16-19)12-7-13-21(22)18-10-5-2-6-11-18;4*1-2;;;/h1-8,10,12,14-15H;4*1-2H3;;;/q-4;;;;;;;.
What are the key properties of 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)?
2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium) has a molecular weight of 663.34 g/mol, XLogP of 9.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium) is sourced from PubChem (CID 162057595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).