9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene

C55H44F2O6S2 — CID 143243927

About 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene

9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene (PubChem CID 143243927) has the molecular formula C55H44F2O6S2 and a molecular weight of 903.08 g/mol. Its IUPAC name is 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene.

Molecular Properties

• Compound Name: 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene
• PubChem CID: 143243927
• Molecular Formula: C55H44F2O6S2
• Molecular Weight: 903.08 g/mol
• Exact Mass: 902.25
• IUPAC Name: 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene
• SMILES: CC(C)(F)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(OC(C)(C)c6ccc(S(=O)(=O)c7ccc(F)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C55H44F2O6S2/c1-53(2,57)37-17-29-45(30-18-37)65(60,61)48-35-27-43(28-36-48)62-42-23-13-39(14-24-42)55(51-11-7-5-9-49(51)50-10-6-8-12-52(50)55)40-15-25-44(26-16-40)63-54(3,4)38-19-31-46(32-20-38)64(58,59)47-33-21-41(56)22-34-47/h5-36H,1-4H3
• InChIKey: JMWOLJOTTZKVSM-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 86.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.08
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene?

The IUPAC name of 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene (CID 143243927) is 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene.

What is the SMILES notation for 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene?

The canonical SMILES for 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene is CC(C)(F)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(OC(C)(C)c6ccc(S(=O)(=O)c7ccc(F)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.

What is the InChIKey of 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene?

The InChIKey is JMWOLJOTTZKVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44F2O6S2/c1-53(2,57)37-17-29-45(30-18-37)65(60,61)48-35-27-43(28-36-48)62-42-23-13-39(14-24-42)55(51-11-7-5-9-49(51)50-10-6-8-12-52(50)55)40-15-25-44(26-16-40)63-54(3,4)38-19-31-46(32-20-38)64(58,59)47-33-21-41(56)22-34-47/h5-36H,1-4H3.

What are the key properties of 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene?

9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene has a molecular weight of 903.08 g/mol, XLogP of 13.17, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-[4-(2-fluoropropan-2-yl)phenyl]sulfonylphenoxy]phenyl]fluorene is sourced from PubChem (CID 143243927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).