9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate

C34H31NO3 — CID 171965314

About 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate

9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate (PubChem CID 171965314) has the molecular formula C34H31NO3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
• PubChem CID: 171965314
• Molecular Formula: C34H31NO3
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.23
• IUPAC Name: 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
• SMILES: COc1ccc2cc(C3=CC4CCCC(C3)N4C(=O)OCC3c4ccccc4-c4ccccc43)ccc2c1
• InChI: InChI=1S/C34H31NO3/c1-37-28-16-15-22-17-23(13-14-24(22)20-28)25-18-26-7-6-8-27(19-25)35(26)34(36)38-21-33-31-11-4-2-9-29(31)30-10-3-5-12-32(30)33/h2-5,9-18,20,26-27,33H,6-8,19,21H2,1H3
• InChIKey: CJKSFLIXULFHTM-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?

The IUPAC name of 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate (CID 171965314) is 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?

The canonical SMILES for 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate is COc1ccc2cc(C3=CC4CCCC(C3)N4C(=O)OCC3c4ccccc4-c4ccccc43)ccc2c1.

What is the InChIKey of 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?

The InChIKey is CJKSFLIXULFHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO3/c1-37-28-16-15-22-17-23(13-14-24(22)20-28)25-18-26-7-6-8-27(19-25)35(26)34(36)38-21-33-31-11-4-2-9-29(31)30-10-3-5-12-32(30)33/h2-5,9-18,20,26-27,33H,6-8,19,21H2,1H3.

What are the key properties of 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?

9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate has a molecular weight of 501.63 g/mol, XLogP of 7.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl 3-(6-methoxynaphthalen-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate is sourced from PubChem (CID 171965314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).