4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+))

C158H168O6S6TiZr2 — CID 159473447

About 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+))

4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+)) (PubChem CID 159473447) has the molecular formula C158H168O6S6TiZr2 and a molecular weight of 2585.79 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+)).

Molecular Properties

• Compound Name: 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+))
• PubChem CID: 159473447
• Molecular Formula: C158H168O6S6TiZr2
• Molecular Weight: 2585.79 g/mol
• Exact Mass: 2580.87
• IUPAC Name: 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+))
• SMILES: CC(C)(C)c1cc(CSCCSCc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)c(O)c(-c2ccccc2)c1.CC(C)(C)c1cc(CSc2ccccc2SCc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)c(O)c(-c2ccccc2)c1.CC(C)(C)c1cc(CSc2ccccc2SCc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)c(O)c(-c2ccccc2)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+2].[Zr+2].[Zr+2]
• InChI: InChI=1S/2C40H42O2S2.C36H42O2S2.6C7H7.Ti.2Zr/c2*1-39(2,3)31-21-29(37(41)33(23-31)27-15-9-7-10-16-27)25-43-35-19-13-14-20-36(35)44-26-30-22-32(40(4,5)6)24-34(38(30)42)28-17-11-8-12-18-28;1-35(2,3)29-19-27(33(37)31(21-29)25-13-9-7-10-14-25)23-39-17-18-40-24-28-20-30(36(4,5)6)22-32(34(28)38)26-15-11-8-12-16-26;6*1-7-5-3-2-4-6-7;;;/h2*7-24,41-42H,25-26H2,1-6H3;7-16,19-22,37-38H,17-18,23-24H2,1-6H3;6*2-6H,1H2;;;/q;;;6*-1;3*+2
• InChIKey: PZNINUVFYDMWOM-UHFFFAOYSA-N
• XLogP: 44.62
• TPSA: 121.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2585.79
LogP ≤ 5	44.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+))?

The IUPAC name of 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+)) (CID 159473447) is 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+)).

What is the SMILES notation for 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+))?

The canonical SMILES for 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+)) is CC(C)(C)c1cc(CSCCSCc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)c(O)c(-c2ccccc2)c1.CC(C)(C)c1cc(CSc2ccccc2SCc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)c(O)c(-c2ccccc2)c1.CC(C)(C)c1cc(CSc2ccccc2SCc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)c(O)c(-c2ccccc2)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+2].[Zr+2].[Zr+2].

What is the InChIKey of 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+))?

The InChIKey is PZNINUVFYDMWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H42O2S2.C36H42O2S2.6C7H7.Ti.2Zr/c2*1-39(2,3)31-21-29(37(41)33(23-31)27-15-9-7-10-16-27)25-43-35-19-13-14-20-36(35)44-26-30-22-32(40(4,5)6)24-34(38(30)42)28-17-11-8-12-18-28;1-35(2,3)29-19-27(33(37)31(21-29)25-13-9-7-10-14-25)23-39-17-18-40-24-28-20-30(36(4,5)6)22-32(34(28)38)26-15-11-8-12-16-26;6*1-7-5-3-2-4-6-7;;;/h2*7-24,41-42H,25-26H2,1-6H3;7-16,19-22,37-38H,17-18,23-24H2,1-6H3;6*2-6H,1H2;;;/q;;;6*-1;3*+2.

What are the key properties of 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+))?

4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+)) has a molecular weight of 2585.79 g/mol, XLogP of 44.62, 25 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]ethylsulfanylmethyl]-6-phenylphenol;bis(4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-phenylphenol);methanidylbenzene;titanium(2+);bis(zirconium(2+)) is sourced from PubChem (CID 159473447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).