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

C50H47NO2 — CID 154622879

IUPAC2-[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
SMILESCOc1c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(-c4ccccc4C(C)C)c3O)n2)cc(C)cc1-c1ccccc1C(C)C
InChIInChI=1S/C50H47NO2/c1-31(2)35-17-8-10-19-37(35)43-27-33(5)28-44(49(43)52)39-21-12-14-23-41(39)47-25-16-26-48(51-47)42-24-15-13-22-40(42)46-30-34(6)29-45(50(46)53-7)38-20-11-9-18-36(38)32(3)4/h8-32,52H,1-7H3
InChIKeyBRLHUHQNDFRJIO-UHFFFAOYSA-N
MW693.93 g/mol
LogP13.66
Rot. Bonds9

About 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

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 (PubChem CID 154622879) has the molecular formula C50H47NO2 and a molecular weight of 693.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID154622879
Molecular FormulaC50H47NO2
Molecular Weight693.93 g/mol
Exact Mass693.36
IUPAC Name2-[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
SMILESCOc1c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(-c4ccccc4C(C)C)c3O)n2)cc(C)cc1-c1ccccc1C(C)C
InChIInChI=1S/C50H47NO2/c1-31(2)35-17-8-10-19-37(35)43-27-33(5)28-44(49(43)52)39-21-12-14-23-41(39)47-25-16-26-48(51-47)42-24-15-13-22-40(42)46-30-34(6)29-45(50(46)53-7)38-20-11-9-18-36(38)32(3)4/h8-32,52H,1-7H3
InChIKeyBRLHUHQNDFRJIO-UHFFFAOYSA-N
XLogP13.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 513.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine
CID 168890082
2-[2-[6-[[2,6-di(propan-2-yl)anilino]methyl]-2-pyridinyl]phenyl]-6-[3,5-di(propan-2-yl)phenyl]-4-methylphenol
CID 158253401
2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol
CID 157481244
2-methoxy-3-(2-propan-2-ylphenyl)benzenethiol
CID 57213762
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
CID 154622877
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
2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol
CID 175157618
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
5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole
CID 166023711
2,4-dimethyl-6-(6-pyridin-2-yl-2-pyridinyl)phenol
CID 137254307
6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde
CID 169180708

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(-c4ccccc4C(C)C)c3O)n2)cc(C)cc1-c1ccccc1C(C)C.
What is the InChIKey of 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?
The InChIKey is BRLHUHQNDFRJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47NO2/c1-31(2)35-17-8-10-19-37(35)43-27-33(5)28-44(49(43)52)39-21-12-14-23-41(39)47-25-16-26-48(51-47)42-24-15-13-22-40(42)46-30-34(6)29-45(50(46)53-7)38-20-11-9-18-36(38)32(3)4/h8-32,52H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 693.93 g/mol, XLogP of 13.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154622879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).