2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium

C69H89NO3Zr-2 — CID 176878390

About 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium

2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium (PubChem CID 176878390) has the molecular formula C69H89NO3Zr-2 and a molecular weight of 1071.70 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium.

Molecular Properties

• Compound Name: 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium
• PubChem CID: 176878390
• Molecular Formula: C69H89NO3Zr-2
• Molecular Weight: 1071.70 g/mol
• Exact Mass: 1069.59
• IUPAC Name: 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium
• SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.[CH3-].[CH3-].[Zr]
• InChI: InChI=1S/C67H83NO3.2CH3.Zr/c1-39(2)50-19-18-40(3)20-61(50)71-49-31-59(53-16-12-10-14-51(53)55-27-47(64(4,5)6)29-57(62(55)69)66-33-41-21-42(34-66)23-43(22-41)35-66)68-60(32-49)54-17-13-11-15-52(54)56-28-48(65(7,8)9)30-58(63(56)70)67-36-44-24-45(37-67)26-46(25-44)38-67;;;/h10-17,27-32,39-46,50,61,69-70H,18-26,33-38H2,1-9H3;2*1H3;/q;2*-1;/t40-,41?,42?,43?,44?,45?,46?,50+,61-,66?,67?;;;/m1.../s1
• InChIKey: PYDKSWJFDOULHW-ALHMYDROSA-N
• XLogP: 18.43
• TPSA: 62.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.70
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium?

The IUPAC name of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium (CID 176878390) is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium.

What is the SMILES notation for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium?

The canonical SMILES for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.[CH3-].[CH3-].[Zr].

What is the InChIKey of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium?

The InChIKey is PYDKSWJFDOULHW-ALHMYDROSA-N. The full InChI is InChI=1S/C67H83NO3.2CH3.Zr/c1-39(2)50-19-18-40(3)20-61(50)71-49-31-59(53-16-12-10-14-51(53)55-27-47(64(4,5)6)29-57(62(55)69)66-33-41-21-42(34-66)23-43(22-41)35-66)68-60(32-49)54-17-13-11-15-52(54)56-28-48(65(7,8)9)30-58(63(56)70)67-36-44-24-45(37-67)26-46(25-44)38-67;;;/h10-17,27-32,39-46,50,61,69-70H,18-26,33-38H2,1-9H3;2*1H3;/q;2*-1;/t40-,41?,42?,43?,44?,45?,46?,50+,61-,66?,67?;;;/m1.../s1.

What are the key properties of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium?

2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium has a molecular weight of 1071.70 g/mol, XLogP of 18.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium is sourced from PubChem (CID 176878390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).