1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)

C18H10Y4-4 — CID 160503199

IUPAC1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
SMILES[Y].[Y].[Y].[Y].[c-]1ccccc1-c1[c-]c[c-]c(-c2[c-]cccc2)c1
InChIInChI=1S/C18H10.4Y/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;;;;/h1-8,10,14H;;;;/q-4;;;;
InChIKeyNIZPDZLIJYLFJL-UHFFFAOYSA-N
MW581.90 g/mol
LogP4.21
Rot. Bonds2

About 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)

1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium) (PubChem CID 160503199) has the molecular formula C18H10Y4-4 and a molecular weight of 581.90 g/mol. Its IUPAC name is 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium).

Molecular Properties

Compound Name1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
PubChem CID160503199
Molecular FormulaC18H10Y4-4
Molecular Weight581.90 g/mol
Exact Mass581.70
IUPAC Name1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
SMILES[Y].[Y].[Y].[Y].[c-]1ccccc1-c1[c-]c[c-]c(-c2[c-]cccc2)c1
InChIInChI=1S/C18H10.4Y/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;;;;/h1-8,10,14H;;;;/q-4;;;;
InChIKeyNIZPDZLIJYLFJL-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.90
LogP ≤ 54.21
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
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
anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
CID 159198266
ethane;phenylbenzene;pyrimidine;1,3,5-triazine;(yttrium)
CID 159116160
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
CID 58599965
ethane;1-methyl-3-phenylbenzene-4-ide;1-methyl-4-phenylbenzene-5-ide;(yttrium)
CID 157288339
1-ethyl-3-methylbenzene;phenylbenzene;yttrium
CID 161331275
2-phenylcyclohexa-1,3-dien-5-yne;yttrium
CID 164741490
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
iridium;tris(2-phenylpyridine)
CID 23386734

Frequently Asked Questions

What is the IUPAC name of 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)?
The IUPAC name of 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium) (CID 160503199) is 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium).
What is the SMILES notation for 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)?
The canonical SMILES for 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium) is [Y].[Y].[Y].[Y].[c-]1ccccc1-c1[c-]c[c-]c(-c2[c-]cccc2)c1.
What is the InChIKey of 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)?
The InChIKey is NIZPDZLIJYLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10.4Y/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;;;;/h1-8,10,14H;;;;/q-4;;;;.
What are the key properties of 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)?
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium) has a molecular weight of 581.90 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium) is sourced from PubChem (CID 160503199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).