2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol

C37H32O4 — CID 170195202

About 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol

2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol (PubChem CID 170195202) has the molecular formula C37H32O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol.

Molecular Properties

• Compound Name: 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol
• PubChem CID: 170195202
• Molecular Formula: C37H32O4
• Molecular Weight: 540.66 g/mol
• Exact Mass: 540.23
• IUPAC Name: 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol
• SMILES: OCCOc1ccc2cc(C3(c4ccc5c(c4)C=CC(OCCO)C5)c4ccccc4-c4ccccc43)ccc2c1
• InChI: InChI=1S/C37H32O4/c38-17-19-40-31-15-11-25-21-29(13-9-27(25)23-31)37(35-7-3-1-5-33(35)34-6-2-4-8-36(34)37)30-14-10-28-24-32(41-20-18-39)16-12-26(28)22-30/h1-16,21-23,32,38-39H,17-20,24H2
• InChIKey: RVUAPFVQTVGZFQ-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.66
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol?

The IUPAC name of 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol (CID 170195202) is 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol.

What is the SMILES notation for 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol?

The canonical SMILES for 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol is OCCOc1ccc2cc(C3(c4ccc5c(c4)C=CC(OCCO)C5)c4ccccc4-c4ccccc43)ccc2c1.

What is the InChIKey of 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol?

The InChIKey is RVUAPFVQTVGZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32O4/c38-17-19-40-31-15-11-25-21-29(13-9-27(25)23-31)37(35-7-3-1-5-33(35)34-6-2-4-8-36(34)37)30-14-10-28-24-32(41-20-18-39)16-12-26(28)22-30/h1-16,21-23,32,38-39H,17-20,24H2.

What are the key properties of 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol?

2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol has a molecular weight of 540.66 g/mol, XLogP of 6.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]fluoren-9-yl]-1,2-dihydronaphthalen-2-yl]oxy]ethanol is sourced from PubChem (CID 170195202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).