4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol

C31H27NO — CID 136790278

IUPAC4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol
SMILESCc1cc(-c2cccc(-c3cccc4ccccc34)n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C31H27NO/c1-21-19-26(30(33)27(20-21)31(2,3)23-13-5-4-6-14-23)29-18-10-17-28(32-29)25-16-9-12-22-11-7-8-15-24(22)25/h4-20,33H,1-3H3
InChIKeyJXZOSLVYCQMUSJ-UHFFFAOYSA-N
MW429.56 g/mol
LogP7.91
Rot. Bonds4

About 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol

4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol (PubChem CID 136790278) has the molecular formula C31H27NO and a molecular weight of 429.56 g/mol. Its IUPAC name is 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol
PubChem CID136790278
Molecular FormulaC31H27NO
Molecular Weight429.56 g/mol
Exact Mass429.21
IUPAC Name4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol
SMILESCc1cc(-c2cccc(-c3cccc4ccccc34)n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C31H27NO/c1-21-19-26(30(33)27(20-21)31(2,3)23-13-5-4-6-14-23)29-18-10-17-28(32-29)25-16-9-12-22-11-7-8-15-24(22)25/h4-20,33H,1-3H3
InChIKeyJXZOSLVYCQMUSJ-UHFFFAOYSA-N
XLogP7.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-tert-butyl-6-[6-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-pyridinyl]-4-methylphenol;methanidylbenzene;zirconium(2+)
CID 59104933
2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
CID 145474640
2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
CID 136790275
2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-phenylindol-3-yl]-2-pyridinyl]-1-phenylindol-2-yl]-4-methylphenol
CID 154622756
2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol
CID 154622742
2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 173494309
2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4,6-diphenylpyridine
CID 121315369
2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 162285604
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
CID 71418637
4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
CID 130392242

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol (CID 136790278) is 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol is Cc1cc(-c2cccc(-c3cccc4ccccc34)n2)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol?
The InChIKey is JXZOSLVYCQMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO/c1-21-19-26(30(33)27(20-21)31(2,3)23-13-5-4-6-14-23)29-18-10-17-28(32-29)25-16-9-12-22-11-7-8-15-24(22)25/h4-20,33H,1-3H3.
What are the key properties of 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol?
4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol has a molecular weight of 429.56 g/mol, XLogP of 7.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 136790278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).