[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone

C110H78O13S2 — CID 158080049

About [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone

[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone (PubChem CID 158080049) has the molecular formula C110H78O13S2 and a molecular weight of 1671.95 g/mol. Its IUPAC name is [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone
• PubChem CID: 158080049
• Molecular Formula: C110H78O13S2
• Molecular Weight: 1671.95 g/mol
• Exact Mass: 1670.49
• IUPAC Name: [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone
• SMILES: COc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(Oc7ccc(C8(c9ccc(C)cc9)c9ccccc9-c9ccccc98)cc7)cc6)c5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(O)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C72H50O5.C38H28O8S2/c1-47-22-28-52(29-23-47)71(65-18-7-3-14-61(65)62-15-4-8-19-66(62)71)54-32-42-59(43-33-54)76-57-36-24-48(25-37-57)69(73)50-12-11-13-51(46-50)70(74)49-26-38-58(39-27-49)77-60-44-34-55(35-45-60)72(53-30-40-56(75-2)41-31-53)67-20-9-5-16-63(67)64-17-6-10-21-68(64)72;1-26-2-18-34(19-3-26)47(41,42)36-22-14-32(15-23-36)45-30-10-4-27(5-11-30)38(40)28-6-12-31(13-7-28)46-33-16-24-37(25-17-33)48(43,44)35-20-8-29(39)9-21-35/h3-46H,1-2H3;2-25,39H,1H3
• InChIKey: FMVOIVXFPRMUGF-UHFFFAOYSA-N
• XLogP: 24.96
• TPSA: 185.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.95
LogP ≤ 5	24.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone?

The IUPAC name of [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone (CID 158080049) is [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone.

What is the SMILES notation for [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone?

The canonical SMILES for [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone is COc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(Oc7ccc(C8(c9ccc(C)cc9)c9ccccc9-c9ccccc98)cc7)cc6)c5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(O)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone?

The InChIKey is FMVOIVXFPRMUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50O5.C38H28O8S2/c1-47-22-28-52(29-23-47)71(65-18-7-3-14-61(65)62-15-4-8-19-66(62)71)54-32-42-59(43-33-54)76-57-36-24-48(25-37-57)69(73)50-12-11-13-51(46-50)70(74)49-26-38-58(39-27-49)77-60-44-34-55(35-45-60)72(53-30-40-56(75-2)41-31-53)67-20-9-5-16-63(67)64-17-6-10-21-68(64)72;1-26-2-18-34(19-3-26)47(41,42)36-22-14-32(15-23-36)45-30-10-4-27(5-11-30)38(40)28-6-12-31(13-7-28)46-33-16-24-37(25-17-33)48(43,44)35-20-8-29(39)9-21-35/h3-46H,1-2H3;2-25,39H,1H3.

What are the key properties of [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone?

[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone has a molecular weight of 1671.95 g/mol, XLogP of 24.96, 23 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone is sourced from PubChem (CID 158080049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).