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)

C36H16Y5-10 — CID 153293138

IUPAC1-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)
SMILES[Y].[Y].[Y].[Y].[Y].[c-]1cc(-c2[c-]cc(-c3[c-]cccc3)[c-]c2)[c-]cc1-c1[c-]cc(-c2[c-]cc(-c3[c-]cccc3)[c-]c2)[c-]c1
InChIInChI=1S/C36H16.5Y/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28;;;;;/h1-7,9,11,13,16,18-19,21,24,26H;;;;;/q-10;;;;;
InChIKeyKTVKIYJMUYFCCN-UHFFFAOYSA-N
MW893.05 g/mol
LogP8.01
Rot. Bonds5

About 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)

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) (PubChem CID 153293138) has the molecular formula C36H16Y5-10 and a molecular weight of 893.05 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-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)
PubChem CID153293138
Molecular FormulaC36H16Y5-10
Molecular Weight893.05 g/mol
Exact Mass892.66
IUPAC Name1-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)
SMILES[Y].[Y].[Y].[Y].[Y].[c-]1cc(-c2[c-]cc(-c3[c-]cccc3)[c-]c2)[c-]cc1-c1[c-]cc(-c2[c-]cc(-c3[c-]cccc3)[c-]c2)[c-]c1
InChIInChI=1S/C36H16.5Y/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28;;;;;/h1-7,9,11,13,16,18-19,21,24,26H;;;;;/q-10;;;;;
InChIKeyKTVKIYJMUYFCCN-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.05
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Related Compounds

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CID 161119758
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CID 160503199
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
anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
CID 159198266
2-phenylcyclohexa-1,3-dien-5-yne;yttrium
CID 164741490
9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium
CID 164703612
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
chloronickel;2,6-di(phenyl)pyridine
CID 153499161

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is [Y].[Y].[Y].[Y].[Y].[c-]1cc(-c2[c-]cc(-c3[c-]cccc3)[c-]c2)[c-]cc1-c1[c-]cc(-c2[c-]cc(-c3[c-]cccc3)[c-]c2)[c-]c1.
What is the InChIKey of 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)?
The InChIKey is KTVKIYJMUYFCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H16.5Y/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28;;;;;/h1-7,9,11,13,16,18-19,21,24,26H;;;;;/q-10;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 893.05 g/mol, XLogP of 8.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 153293138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).