2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium

C63H53HoO2- — CID 167508103

About 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium

2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium (PubChem CID 167508103) has the molecular formula C63H53HoO2- and a molecular weight of 1007.05 g/mol. Its IUPAC name is 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium.

Molecular Properties

• Compound Name: 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium
• PubChem CID: 167508103
• Molecular Formula: C63H53HoO2-
• Molecular Weight: 1007.05 g/mol
• Exact Mass: 1006.34
• IUPAC Name: 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium
• SMILES: [CH2-]COc1c(-c2ccc3ccccc3c2)cc(C(C)(C)c2cc(-c3ccc4ccccc4c3)c(OCCC3CCC3)c(-c3ccc4ccccc4c3)c2)cc1-c1ccc2ccccc2c1.[Ho]
• InChI: InChI=1S/C63H53O2.Ho/c1-4-64-61-57(51-28-24-43-16-5-9-20-47(43)34-51)38-55(39-58(61)52-29-25-44-17-6-10-21-48(44)35-52)63(2,3)56-40-59(53-30-26-45-18-7-11-22-49(45)36-53)62(65-33-32-42-14-13-15-42)60(41-56)54-31-27-46-19-8-12-23-50(46)37-54;/h5-12,16-31,34-42H,1,4,13-15,32-33H2,2-3H3;/q-1
• InChIKey: BOYULRZVNSMAOG-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1007.05
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium?

The IUPAC name of 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium (CID 167508103) is 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium.

What is the SMILES notation for 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium?

The canonical SMILES for 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium is [CH2-]COc1c(-c2ccc3ccccc3c2)cc(C(C)(C)c2cc(-c3ccc4ccccc4c3)c(OCCC3CCC3)c(-c3ccc4ccccc4c3)c2)cc1-c1ccc2ccccc2c1.[Ho].

What is the InChIKey of 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium?

The InChIKey is BOYULRZVNSMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53O2.Ho/c1-4-64-61-57(51-28-24-43-16-5-9-20-47(43)34-51)38-55(39-58(61)52-29-25-44-17-6-10-21-48(44)35-52)63(2,3)56-40-59(53-30-26-45-18-7-11-22-49(45)36-53)62(65-33-32-42-14-13-15-42)60(41-56)54-31-27-46-19-8-12-23-50(46)37-54;/h5-12,16-31,34-42H,1,4,13-15,32-33H2,2-3H3;/q-1;.

What are the key properties of 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium?

2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium has a molecular weight of 1007.05 g/mol, XLogP of 17.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-[4-(2-cyclobutylethoxy)-3,5-dinaphthalen-2-ylphenyl]propan-2-yl]-2-ethoxy-3-naphthalen-2-ylphenyl]naphthalene;holmium is sourced from PubChem (CID 167508103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).