tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium)

C144H132F4O17Y11-22 — CID 159990148

About tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium)

tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium) (PubChem CID 159990148) has the molecular formula C144H132F4O17Y11-22 and a molecular weight of 3188.58 g/mol. Its IUPAC name is tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium).

Molecular Properties

• Compound Name: tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium)
• PubChem CID: 159990148
• Molecular Formula: C144H132F4O17Y11-22
• Molecular Weight: 3188.58 g/mol
• Exact Mass: 3186.92
• IUPAC Name: tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium)
• SMILES: C.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1O.Cc1cc[c-]cc1O.Oc1c[c-]ccc1O.Oc1c[c-]ccc1O.Oc1c[c-]ccc1O.Oc1c[c-]ccc1O.Oc1cc[c-]cc1.Oc1cc[c-]cc1.Oc1cc[c-]cc1.Oc1cc[c-]cc1F.Oc1cc[c-]cc1F.Oc1cc[c-]cc1F.Oc1cc[c-]cc1F.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/2C7H7O.9C7H7.4C6H4FO.4C6H5O2.3C6H5O.CH4.11Y/c2*1-6-4-2-3-5-7(6)8;9*1-7-5-3-2-4-6-7;8*7-5-3-1-2-4-6(5)8;3*7-6-4-2-1-3-5-6;;;;;;;;;;;;/h2*2,4-5,8H,1H3;9*3-6H,1H3;4*2-4,8H;4*1,3-4,7-8H;3*2-5,7H;1H4;;;;;;;;;;;/q22*-1
• InChIKey: XGHXUMIDVRBAGF-UHFFFAOYSA-N
• XLogP: 32.26
• TPSA: 343.91 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 17
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3188.58
LogP ≤ 5	32.26
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium)?

The IUPAC name of tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium) (CID 159990148) is tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium).

What is the SMILES notation for tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium)?

The canonical SMILES for tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium) is C.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1O.Cc1cc[c-]cc1O.Oc1c[c-]ccc1O.Oc1c[c-]ccc1O.Oc1c[c-]ccc1O.Oc1c[c-]ccc1O.Oc1cc[c-]cc1.Oc1cc[c-]cc1.Oc1cc[c-]cc1.Oc1cc[c-]cc1F.Oc1cc[c-]cc1F.Oc1cc[c-]cc1F.Oc1cc[c-]cc1F.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium)?

The InChIKey is XGHXUMIDVRBAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7O.9C7H7.4C6H4FO.4C6H5O2.3C6H5O.CH4.11Y/c2*1-6-4-2-3-5-7(6)8;9*1-7-5-3-2-4-6-7;8*7-5-3-1-2-4-6(5)8;3*7-6-4-2-1-3-5-6;;;;;;;;;;;;/h2*2,4-5,8H,1H3;9*3-6H,1H3;4*2-4,8H;4*1,3-4,7-8H;3*2-5,7H;1H4;;;;;;;;;;;/q22*-1;;;;;;;;;;;;.

What are the key properties of tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium)?

tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium) has a molecular weight of 3188.58 g/mol, XLogP of 32.26, 0 rotatable bonds, 17 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium) is sourced from PubChem (CID 159990148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).