2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol

C57H42O4 — CID 142536387

About 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol

2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol (PubChem CID 142536387) has the molecular formula C57H42O4 and a molecular weight of 790.96 g/mol. Its IUPAC name is 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol.

Molecular Properties

• Compound Name: 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol
• PubChem CID: 142536387
• Molecular Formula: C57H42O4
• Molecular Weight: 790.96 g/mol
• Exact Mass: 790.31
• IUPAC Name: 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol
• SMILES: OCCOc1ccc2cc(C3(c4ccc5cc(OCCO)ccc5c4)c4cccc(-c5cccc6ccccc56)c4-c4c(-c5cccc6ccccc56)cccc43)ccc2c1
• InChI: InChI=1S/C57H42O4/c58-29-31-60-45-27-23-39-33-43(25-21-41(39)35-45)57(44-26-22-42-36-46(61-32-30-59)28-24-40(42)34-44)53-19-7-17-51(49-15-5-11-37-9-1-3-13-47(37)49)55(53)56-52(18-8-20-54(56)57)50-16-6-12-38-10-2-4-14-48(38)50/h1-28,33-36,58-59H,29-32H2
• InChIKey: KRLWVQSQMVQFEZ-UHFFFAOYSA-N
• XLogP: 12.74
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.96
LogP ≤ 5	12.74
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]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol?

The IUPAC name of 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol (CID 142536387) is 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol.

What is the SMILES notation for 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol?

The canonical SMILES for 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol is OCCOc1ccc2cc(C3(c4ccc5cc(OCCO)ccc5c4)c4cccc(-c5cccc6ccccc56)c4-c4c(-c5cccc6ccccc56)cccc43)ccc2c1.

What is the InChIKey of 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol?

The InChIKey is KRLWVQSQMVQFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42O4/c58-29-31-60-45-27-23-39-33-43(25-21-41(39)35-45)57(44-26-22-42-36-46(61-32-30-59)28-24-40(42)34-44)53-19-7-17-51(49-15-5-11-37-9-1-3-13-47(37)49)55(53)56-52(18-8-20-54(56)57)50-16-6-12-38-10-2-4-14-48(38)50/h1-28,33-36,58-59H,29-32H2.

What are the key properties of 2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol?

2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol has a molecular weight of 790.96 g/mol, XLogP of 12.74, 10 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]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 142536387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).