hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol

C57H65HfNO2 — CID 170668309

IUPAChafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol
SMILESCc1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C45CC6(C)CC(C)(CC(C)(C6)C4)C5)c3O)n2)c(O)c(C23CC4(C)CC(C)(CC(C)(C4)C2)C3)c1.[Hf]
InChIInChI=1S/C57H65NO2.Hf/c1-36-20-42(48(59)44(22-36)56-30-50(3)24-51(4,31-56)26-52(5,25-50)32-56)38-14-9-11-16-40(38)46-18-13-19-47(58-46)41-17-12-10-15-39(41)43-21-37(2)23-45(49(43)60)57-33-53(6)27-54(7,34-57)29-55(8,28-53)35-57;/h9-23,59-60H,24-35H2,1-8H3;
InChIKeyIMVFMYGTTSVRHR-UHFFFAOYSA-N
MW974.64 g/mol
LogP15.05
Rot. Bonds6

About hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol

hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol (PubChem CID 170668309) has the molecular formula C57H65HfNO2 and a molecular weight of 974.64 g/mol. Its IUPAC name is hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol.

Molecular Properties

Compound Namehafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol
PubChem CID170668309
Molecular FormulaC57H65HfNO2
Molecular Weight974.64 g/mol
Exact Mass975.45
IUPAC Namehafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol
SMILESCc1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C45CC6(C)CC(C)(CC(C)(C6)C4)C5)c3O)n2)c(O)c(C23CC4(C)CC(C)(CC(C)(C4)C2)C3)c1.[Hf]
InChIInChI=1S/C57H65NO2.Hf/c1-36-20-42(48(59)44(22-36)56-30-50(3)24-51(4,31-56)26-52(5,25-50)32-56)38-14-9-11-16-40(38)46-18-13-19-47(58-46)41-17-12-10-15-39(41)43-21-37(2)23-45(49(43)60)57-33-53(6)27-54(7,34-57)29-55(8,28-53)35-57;/h9-23,59-60H,24-35H2,1-8H3;
InChIKeyIMVFMYGTTSVRHR-UHFFFAOYSA-N
XLogP15.05
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.64
LogP ≤ 515.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol with MolForge

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Related Compounds

carbanide;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol;zirconium
CID 169317167
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
CID 154622877
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium
CID 159174215
2-[2-[6-[2-[2-methoxy-5-methyl-3-(2-propan-2-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(2-propan-2-ylphenyl)phenol
CID 154622879
2,4-bis(1-adamantyl)-6-[2-[6-[2-[3,5-bis(1-adamantyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]phenol;methanidylbenzene;zirconium
CID 154622637
2,4-dimethyl-6-(6-pyridin-2-yl-2-pyridinyl)phenol
CID 137254307
2-[6-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenol;manganese(3+);trichloride
CID 160934491
2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine
CID 175988132
2-[6-[6-(2-hydroxy-4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol
CID 135544149
2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
CID 145474640
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol
CID 154622833
2-(1-adamantyl)-6-[3-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]phenyl]-4-methylphenol
CID 102159811

Frequently Asked Questions

What is the IUPAC name of hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol?
The IUPAC name of hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol (CID 170668309) is hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol.
What is the SMILES notation for hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol?
The canonical SMILES for hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol is Cc1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C45CC6(C)CC(C)(CC(C)(C6)C4)C5)c3O)n2)c(O)c(C23CC4(C)CC(C)(CC(C)(C4)C2)C3)c1.[Hf].
What is the InChIKey of hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol?
The InChIKey is IMVFMYGTTSVRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H65NO2.Hf/c1-36-20-42(48(59)44(22-36)56-30-50(3)24-51(4,31-56)26-52(5,25-50)32-56)38-14-9-11-16-40(38)46-18-13-19-47(58-46)41-17-12-10-15-39(41)43-21-37(2)23-45(49(43)60)57-33-53(6)27-54(7,34-57)29-55(8,28-53)35-57;/h9-23,59-60H,24-35H2,1-8H3;.
What are the key properties of hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol?
hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol has a molecular weight of 974.64 g/mol, XLogP of 15.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol is sourced from PubChem (CID 170668309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).