2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane

C43H34O4 — CID 158524809

About 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane

2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane (PubChem CID 158524809) has the molecular formula C43H34O4 and a molecular weight of 614.74 g/mol. Its IUPAC name is 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane
• PubChem CID: 158524809
• Molecular Formula: C43H34O4
• Molecular Weight: 614.74 g/mol
• Exact Mass: 614.25
• IUPAC Name: 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane
• SMILES: c1ccc(-c2cc(-c3ccc4c(c3-c3ccc(OCC5CO5)c(-c5ccccc5)c3)Cc3ccccc3-4)ccc2OCC2CO2)cc1
• InChI: InChI=1S/C43H34O4/c1-3-9-28(10-4-1)38-21-31(15-19-41(38)46-26-33-24-44-33)36-17-18-37-35-14-8-7-13-30(35)22-40(37)43(36)32-16-20-42(47-27-34-25-45-34)39(23-32)29-11-5-2-6-12-29/h1-21,23,33-34H,22,24-27H2
• InChIKey: HMQWQZCLTMGVKQ-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 43.52 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.74
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane?

The IUPAC name of 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane (CID 158524809) is 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane.

What is the SMILES notation for 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane?

The canonical SMILES for 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane is c1ccc(-c2cc(-c3ccc4c(c3-c3ccc(OCC5CO5)c(-c5ccccc5)c3)Cc3ccccc3-4)ccc2OCC2CO2)cc1.

What is the InChIKey of 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane?

The InChIKey is HMQWQZCLTMGVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34O4/c1-3-9-28(10-4-1)38-21-31(15-19-41(38)46-26-33-24-44-33)36-17-18-37-35-14-8-7-13-30(35)22-40(37)43(36)32-16-20-42(47-27-34-25-45-34)39(23-32)29-11-5-2-6-12-29/h1-21,23,33-34H,22,24-27H2.

What are the key properties of 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane?

2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane has a molecular weight of 614.74 g/mol, XLogP of 9.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane is sourced from PubChem (CID 158524809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).