2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate

C52H36O3 — CID 144924149

About 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate

2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate (PubChem CID 144924149) has the molecular formula C52H36O3 and a molecular weight of 708.86 g/mol. Its IUPAC name is 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate
• PubChem CID: 144924149
• Molecular Formula: C52H36O3
• Molecular Weight: 708.86 g/mol
• Exact Mass: 708.27
• IUPAC Name: 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate
• SMILES: C=CC(=O)OCCOc1ccc2cc(C3(c4ccc5ccccc5c4)c4cc(-c5ccc6ccccc6c5)ccc4-c4cc5ccccc5cc43)ccc2c1
• InChI: InChI=1S/C52H36O3/c1-2-51(53)55-26-25-54-46-23-19-41-29-45(22-18-42(41)30-46)52(44-21-17-35-10-4-6-12-37(35)28-44)49-33-43(40-16-15-34-9-3-5-11-36(34)27-40)20-24-47(49)48-31-38-13-7-8-14-39(38)32-50(48)52/h2-24,27-33H,1,25-26H2
• InChIKey: WUJPZPNPUHIOTJ-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.86
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate?

The IUPAC name of 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate (CID 144924149) is 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate.

What is the SMILES notation for 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate?

The canonical SMILES for 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate is C=CC(=O)OCCOc1ccc2cc(C3(c4ccc5ccccc5c4)c4cc(-c5ccc6ccccc6c5)ccc4-c4cc5ccccc5cc43)ccc2c1.

What is the InChIKey of 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate?

The InChIKey is WUJPZPNPUHIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36O3/c1-2-51(53)55-26-25-54-46-23-19-41-29-45(22-18-42(41)30-46)52(44-21-17-35-10-4-6-12-37(35)28-44)49-33-43(40-16-15-34-9-3-5-11-36(34)27-40)20-24-47(49)48-31-38-13-7-8-14-39(38)32-50(48)52/h2-24,27-33H,1,25-26H2.

What are the key properties of 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate?

2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate has a molecular weight of 708.86 g/mol, XLogP of 12.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate is sourced from PubChem (CID 144924149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).