methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone

C53H42O6S — CID 160735340

About methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone

methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 160735340) has the molecular formula C53H42O6S and a molecular weight of 806.98 g/mol. Its IUPAC name is methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

• Compound Name: methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
• PubChem CID: 160735340
• Molecular Formula: C53H42O6S
• Molecular Weight: 806.98 g/mol
• Exact Mass: 806.27
• IUPAC Name: methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
• SMILES: C.COc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(=O)c7ccc(C)cc7)cc6)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C52H38O6S.CH4/c1-35-11-13-36(14-12-35)51(53)37-15-21-41(22-16-37)57-43-27-31-45(32-28-43)59(54,55)46-33-29-44(30-34-46)58-42-25-19-39(20-26-42)52(38-17-23-40(56-2)24-18-38)49-9-5-3-7-47(49)48-8-4-6-10-50(48)52;/h3-34H,1-2H3;1H4
• InChIKey: RUWJFLBLMCPZIH-UHFFFAOYSA-N
• XLogP: 12.65
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.98
LogP ≤ 5	12.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone?

The IUPAC name of methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone (CID 160735340) is methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone.

What is the SMILES notation for methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone?

The canonical SMILES for methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone is C.COc1ccc(C2(c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(=O)c7ccc(C)cc7)cc6)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone?

The InChIKey is RUWJFLBLMCPZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38O6S.CH4/c1-35-11-13-36(14-12-35)51(53)37-15-21-41(22-16-37)57-43-27-31-45(32-28-43)59(54,55)46-33-29-44(30-34-46)58-42-25-19-39(20-26-42)52(38-17-23-40(56-2)24-18-38)49-9-5-3-7-47(49)48-8-4-6-10-50(48)52;/h3-34H,1-2H3;1H4.

What are the key properties of methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone?

methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 806.98 g/mol, XLogP of 12.65, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 160735340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).