2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol

C27H25NO — CID 136908222

IUPAC2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nc(C)c(Cc3ccccc3)cc2-c2ccccc2)c(O)c1
InChIInChI=1S/C27H25NO/c1-18-14-19(2)26(25(29)15-18)27-24(22-12-8-5-9-13-22)17-23(20(3)28-27)16-21-10-6-4-7-11-21/h4-15,17,29H,16H2,1-3H3
InChIKeyUWJJRSIIGPMOGY-UHFFFAOYSA-N
MW379.50 g/mol
LogP6.64
Rot. Bonds4

About 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol

2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol (PubChem CID 136908222) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol
PubChem CID136908222
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nc(C)c(Cc3ccccc3)cc2-c2ccccc2)c(O)c1
InChIInChI=1S/C27H25NO/c1-18-14-19(2)26(25(29)15-18)27-24(22-12-8-5-9-13-22)17-23(20(3)28-27)16-21-10-6-4-7-11-21/h4-15,17,29H,16H2,1-3H3
InChIKeyUWJJRSIIGPMOGY-UHFFFAOYSA-N
XLogP6.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,6-Diphenyl-2-pyridinyl)phenol
CID 135838975
4-[2,6-Bis(4-hydroxyphenyl)-4-pyridinyl]phenol
CID 136236482
4-(3-hydroxyphenyl)-2-phenyl-5H-indeno[1,2-b]pyridin-6-ol
CID 155512991
2-(2-fluorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol
CID 155520557
2-(4-hydroxyphenyl)-4-phenyl-5H-indeno[1,2-b]pyridin-9-ol
CID 155525491
4-(3-hydroxyphenyl)-2-phenyl-5H-indeno[1,2-b]pyridin-8-ol
CID 155526862
2-(3-hydroxyphenyl)-4-phenyl-5H-indeno[1,2-b]pyridin-9-ol
CID 155530543
4-(3-hydroxyphenyl)-2-phenyl-5H-indeno[1,2-b]pyridin-9-ol
CID 155531352
4-(2-hydroxyphenyl)-2-phenyl-5H-indeno[1,2-b]pyridin-8-ol
CID 155532279
2,4-diphenyl-5H-indeno[1,2-b]pyridin-9-ol
CID 155532566
4-(2-hydroxyphenyl)-2-phenyl-5H-indeno[1,2-b]pyridin-7-ol
CID 155532711
2-(3-fluorophenyl)-4-(4-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-9-ol
CID 155533411

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol?
The IUPAC name of 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol (CID 136908222) is 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol.
What is the SMILES notation for 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol?
The canonical SMILES for 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol is Cc1cc(C)c(-c2nc(C)c(Cc3ccccc3)cc2-c2ccccc2)c(O)c1.
What is the InChIKey of 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol?
The InChIKey is UWJJRSIIGPMOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-18-14-19(2)26(25(29)15-18)27-24(22-12-8-5-9-13-22)17-23(20(3)28-27)16-21-10-6-4-7-11-21/h4-15,17,29H,16H2,1-3H3.
What are the key properties of 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol?
2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol has a molecular weight of 379.50 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)-3,5-dimethylphenol is sourced from PubChem (CID 136908222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).