2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane

C74H64O10 — CID 164953696

About 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane

2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane (PubChem CID 164953696) has the molecular formula C74H64O10 and a molecular weight of 1113.32 g/mol. Its IUPAC name is 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane
• PubChem CID: 164953696
• Molecular Formula: C74H64O10
• Molecular Weight: 1113.32 g/mol
• Exact Mass: 1112.45
• IUPAC Name: 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane
• SMILES: c1ccc2c(c1)-c1cc3ccccc3cc1C2(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.c1ccc2c(c1)-c1cc3ccccc3cc1C2(c1ccc(OCCOCC2CO2)cc1)c1ccc(OCCOCC2CO2)cc1
• InChI: InChI=1S/C39H36O6.C35H28O4/c1-2-6-28-22-38-36(21-27(28)5-1)35-7-3-4-8-37(35)39(38,29-9-13-31(14-10-29)42-19-17-40-23-33-25-44-33)30-11-15-32(16-12-30)43-20-18-41-24-34-26-45-34;1-2-6-24-18-34-32(17-23(24)5-1)31-7-3-4-8-33(31)35(34,25-9-13-27(14-10-25)36-19-29-21-38-29)26-11-15-28(16-12-26)37-20-30-22-39-30/h1-16,21-22,33-34H,17-20,23-26H2;1-18,29-30H,19-22H2
• InChIKey: AWLIGRCHKHVKDH-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 105.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1113.32
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane?

The IUPAC name of 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane (CID 164953696) is 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane.

What is the SMILES notation for 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane?

The canonical SMILES for 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane is c1ccc2c(c1)-c1cc3ccccc3cc1C2(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.c1ccc2c(c1)-c1cc3ccccc3cc1C2(c1ccc(OCCOCC2CO2)cc1)c1ccc(OCCOCC2CO2)cc1.

What is the InChIKey of 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane?

The InChIKey is AWLIGRCHKHVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36O6.C35H28O4/c1-2-6-28-22-38-36(21-27(28)5-1)35-7-3-4-8-37(35)39(38,29-9-13-31(14-10-29)42-19-17-40-23-33-25-44-33)30-11-15-32(16-12-30)43-20-18-41-24-34-26-45-34;1-2-6-24-18-34-32(17-23(24)5-1)31-7-3-4-8-33(31)35(34,25-9-13-27(14-10-25)36-19-29-21-38-29)26-11-15-28(16-12-26)37-20-30-22-39-30/h1-16,21-22,33-34H,17-20,23-26H2;1-18,29-30H,19-22H2.

What are the key properties of 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane?

2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane has a molecular weight of 1113.32 g/mol, XLogP of 13.55, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 164953696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).