2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane

C40H34O4 — CID 170263549

About 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane

2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane (PubChem CID 170263549) has the molecular formula C40H34O4 and a molecular weight of 578.71 g/mol. Its IUPAC name is 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane.

Molecular Properties

• Compound Name: 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane
• PubChem CID: 170263549
• Molecular Formula: C40H34O4
• Molecular Weight: 578.71 g/mol
• Exact Mass: 578.25
• IUPAC Name: 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane
• SMILES: CC1c2ccc(C3(c4ccc5cc(OCC6CO6)ccc5c4)c4ccccc4-c4ccccc43)cc2C=C[C@H]1OC1CCO1
• InChI: InChI=1S/C40H34O4/c1-25-33-16-14-30(21-28(33)12-17-38(25)44-39-18-19-41-39)40(36-8-4-2-6-34(36)35-7-3-5-9-37(35)40)29-13-10-27-22-31(15-11-26(27)20-29)42-23-32-24-43-32/h2-17,20-22,25,32,38-39H,18-19,23-24H2,1H3/t25?,32?,38-,39?/m1/s1
• InChIKey: IVBVYTAMJKYFNV-IAOLKLOFSA-N
• XLogP: 8.24
• TPSA: 40.22 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.71
LogP ≤ 5	8.24
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-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane?

The IUPAC name of 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane (CID 170263549) is 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane.

What is the SMILES notation for 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane?

The canonical SMILES for 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane is CC1c2ccc(C3(c4ccc5cc(OCC6CO6)ccc5c4)c4ccccc4-c4ccccc43)cc2C=C[C@H]1OC1CCO1.

What is the InChIKey of 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane?

The InChIKey is IVBVYTAMJKYFNV-IAOLKLOFSA-N. The full InChI is InChI=1S/C40H34O4/c1-25-33-16-14-30(21-28(33)12-17-38(25)44-39-18-19-41-39)40(36-8-4-2-6-34(36)35-7-3-5-9-37(35)40)29-13-10-27-22-31(15-11-26(27)20-29)42-23-32-24-43-32/h2-17,20-22,25,32,38-39H,18-19,23-24H2,1H3/t25?,32?,38-,39?/m1/s1.

What are the key properties of 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane?

2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane has a molecular weight of 578.71 g/mol, XLogP of 8.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-1-methyl-6-[9-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]oxetane is sourced from PubChem (CID 170263549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).