2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol

C107H88O5S4 — CID 158802899

About 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol

2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol (PubChem CID 158802899) has the molecular formula C107H88O5S4 and a molecular weight of 1582.14 g/mol. Its IUPAC name is 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol.

Molecular Properties

• Compound Name: 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol
• PubChem CID: 158802899
• Molecular Formula: C107H88O5S4
• Molecular Weight: 1582.14 g/mol
• Exact Mass: 1580.55
• IUPAC Name: 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol
• SMILES: CC(C)(C)c1cc(Sc2ccccc2-c2cccc(-c3ccccc3)c2O)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(Sc3ccccc3-c3cccc(-c4ccccc4)c3O)c1O2.Oc1c(-c2ccccc2)cccc1-c1ccccc1Sc1ccccc1-c1ccccc1Sc1ccccc1-c1cccc(-c2ccccc2)c1O
• InChI: InChI=1S/C59H54O3S2.C48H34O2S2/c1-57(2,3)39-33-47-55(51(35-39)63-49-31-17-15-25-43(49)45-29-19-27-41(53(45)60)37-21-11-9-12-22-37)62-56-48(59(47,7)8)34-40(58(4,5)6)36-52(56)64-50-32-18-16-26-44(50)46-30-20-28-42(54(46)61)38-23-13-10-14-24-38;49-47-35(33-17-3-1-4-18-33)25-15-27-41(47)39-23-9-13-31-45(39)51-43-29-11-7-21-37(43)38-22-8-12-30-44(38)52-46-32-14-10-24-40(46)42-28-16-26-36(48(42)50)34-19-5-2-6-20-34/h9-36,60-61H,1-8H3;1-32,49-50H
• InChIKey: ITSFCSSTLKKZOF-UHFFFAOYSA-N
• XLogP: 30.83
• TPSA: 90.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1582.14
LogP ≤ 5	30.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol?

The IUPAC name of 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol (CID 158802899) is 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol.

What is the SMILES notation for 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol?

The canonical SMILES for 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol is CC(C)(C)c1cc(Sc2ccccc2-c2cccc(-c3ccccc3)c2O)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(Sc3ccccc3-c3cccc(-c4ccccc4)c3O)c1O2.Oc1c(-c2ccccc2)cccc1-c1ccccc1Sc1ccccc1-c1ccccc1Sc1ccccc1-c1cccc(-c2ccccc2)c1O.

What is the InChIKey of 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol?

The InChIKey is ITSFCSSTLKKZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H54O3S2.C48H34O2S2/c1-57(2,3)39-33-47-55(51(35-39)63-49-31-17-15-25-43(49)45-29-19-27-41(53(45)60)37-21-11-9-12-22-37)62-56-48(59(47,7)8)34-40(58(4,5)6)36-52(56)64-50-32-18-16-26-44(50)46-30-20-28-42(54(46)61)38-23-13-10-14-24-38;49-47-35(33-17-3-1-4-18-33)25-15-27-41(47)39-23-9-13-31-45(39)51-43-29-11-7-21-37(43)38-22-8-12-30-44(38)52-46-32-14-10-24-40(46)42-28-16-26-36(48(42)50)34-19-5-2-6-20-34/h9-36,60-61H,1-8H3;1-32,49-50H.

What are the key properties of 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol?

2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol has a molecular weight of 1582.14 g/mol, XLogP of 30.83, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2,7-ditert-butyl-5-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanyl-9,9-dimethylxanthen-4-yl]sulfanylphenyl]-6-phenylphenol;2-[2-[2-[2-[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-6-phenylphenol is sourced from PubChem (CID 158802899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).