2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol

C49H38O4 — CID 171457359

About 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol (PubChem CID 171457359) has the molecular formula C49H38O4 and a molecular weight of 690.84 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol.

Molecular Properties

• Compound Name: 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
• PubChem CID: 171457359
• Molecular Formula: C49H38O4
• Molecular Weight: 690.84 g/mol
• Exact Mass: 690.28
• IUPAC Name: 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
• SMILES: OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)cc32)cc1
• InChI: InChI=1S/C49H38O4/c50-25-27-52-43-20-16-41(17-21-43)49(42-18-22-44(23-19-42)53-28-26-51)47-8-4-3-7-45(47)46-24-15-40(32-48(46)49)39-14-13-37-30-36(11-12-38(37)31-39)35-10-9-33-5-1-2-6-34(33)29-35/h1-24,29-32,50-51H,25-28H2
• InChIKey: URCFKSZRXQKJEP-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.84
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol?

The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol (CID 171457359) is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol.

What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol?

The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol is OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)cc32)cc1.

What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol?

The InChIKey is URCFKSZRXQKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38O4/c50-25-27-52-43-20-16-41(17-21-43)49(42-18-22-44(23-19-42)53-28-26-51)47-8-4-3-7-45(47)46-24-15-40(32-48(46)49)39-14-13-37-30-36(11-12-38(37)31-39)35-10-9-33-5-1-2-6-34(33)29-35/h1-24,29-32,50-51H,25-28H2.

What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol?

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol has a molecular weight of 690.84 g/mol, XLogP of 10.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol is sourced from PubChem (CID 171457359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).