5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium)

C67H76O14Y4-4 — CID 58907952

About 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium)

5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium) (PubChem CID 58907952) has the molecular formula C67H76O14Y4-4 and a molecular weight of 1460.95 g/mol. Its IUPAC name is 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium).

Molecular Properties

• Compound Name: 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium)
• PubChem CID: 58907952
• Molecular Formula: C67H76O14Y4-4
• Molecular Weight: 1460.95 g/mol
• Exact Mass: 1460.15
• IUPAC Name: 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium)
• SMILES: CCOc1[c-]c(OCC)cc(COc2cc(COc3cc(C)cc(OCc4cc(OCc5cc(OCC)[c-]c(OCC)c5)c(C)c(OCc5cc(OCC)[c-]c(OCC)c5)c4)c3)cc(OCc3cc(OCC)[c-]c(OCC)c3)c2C)c1.[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C67H76O14.4Y/c1-12-68-56-22-48(23-57(35-56)69-13-2)41-78-64-30-52(31-65(46(64)10)79-42-49-24-58(70-14-3)36-59(25-49)71-15-4)39-76-54-20-45(9)21-55(34-54)77-40-53-32-66(80-43-50-26-60(72-16-5)37-61(27-50)73-17-6)47(11)67(33-53)81-44-51-28-62(74-18-7)38-63(29-51)75-19-8;;;;/h20-34H,12-19,39-44H2,1-11H3;;;;/q-4
• InChIKey: MWPMPDHRYKIOAO-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 129.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 34
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1460.95
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium)?

The IUPAC name of 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium) (CID 58907952) is 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium).

What is the SMILES notation for 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium)?

The canonical SMILES for 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium) is CCOc1[c-]c(OCC)cc(COc2cc(COc3cc(C)cc(OCc4cc(OCc5cc(OCC)[c-]c(OCC)c5)c(C)c(OCc5cc(OCC)[c-]c(OCC)c5)c4)c3)cc(OCc3cc(OCC)[c-]c(OCC)c3)c2C)c1.[Y].[Y].[Y].[Y].

What is the InChIKey of 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium)?

The InChIKey is MWPMPDHRYKIOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H76O14.4Y/c1-12-68-56-22-48(23-57(35-56)69-13-2)41-78-64-30-52(31-65(46(64)10)79-42-49-24-58(70-14-3)36-59(25-49)71-15-4)39-76-54-20-45(9)21-55(34-54)77-40-53-32-66(80-43-50-26-60(72-16-5)37-61(27-50)73-17-6)47(11)67(33-53)81-44-51-28-62(74-18-7)38-63(29-51)75-19-8;;;;/h20-34H,12-19,39-44H2,1-11H3;;;;/q-4;;;;.

What are the key properties of 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium)?

5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium) has a molecular weight of 1460.95 g/mol, XLogP of 14.47, 34 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[[3,5-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-4-methylphenyl]methoxy]-5-methylphenoxy]methyl]-1,3-bis[(3,5-diethoxybenzene-4-id-1-yl)methoxy]-2-methylbenzene;tetrakis(yttrium) is sourced from PubChem (CID 58907952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).