2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol

C36H30N4OS — CID 153304036

IUPAC2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(Sc3ccccn3)cc(-c3cc(-c4cc(C)nc(C)c4)cc(-c4ccccc4O)n3)c2)cc(C)n1
InChIInChI=1S/C36H30N4OS/c1-22-13-26(14-23(2)38-22)28-17-30(19-31(18-28)42-36-11-7-8-12-37-36)33-20-29(27-15-24(3)39-25(4)16-27)21-34(40-33)32-9-5-6-10-35(32)41/h5-21,41H,1-4H3
InChIKeyKCGVOCHHMNIJMR-UHFFFAOYSA-N
MW566.73 g/mol
LogP9.03
Rot. Bonds6

About 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol

2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol (PubChem CID 153304036) has the molecular formula C36H30N4OS and a molecular weight of 566.73 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol
PubChem CID153304036
Molecular FormulaC36H30N4OS
Molecular Weight566.73 g/mol
Exact Mass566.21
IUPAC Name2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(Sc3ccccn3)cc(-c3cc(-c4cc(C)nc(C)c4)cc(-c4ccccc4O)n3)c2)cc(C)n1
InChIInChI=1S/C36H30N4OS/c1-22-13-26(14-23(2)38-22)28-17-30(19-31(18-28)42-36-11-7-8-12-37-36)33-20-29(27-15-24(3)39-25(4)16-27)21-34(40-33)32-9-5-6-10-35(32)41/h5-21,41H,1-4H3
InChIKeyKCGVOCHHMNIJMR-UHFFFAOYSA-N
XLogP9.03
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.73
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

2-[6-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 153304018
2-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol
CID 153280568
2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 153280230
2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
CID 153304154
2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 170524324
2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
CID 167332357
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-(2,6-dimethyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542380
2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)pyrimidin-2-yl]phenol;platinum
CID 153280348
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016
2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylphenyl)pyrimidin-2-yl]phenol
CID 153280198
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol (CID 153304036) is 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol is Cc1cc(-c2cc(Sc3ccccn3)cc(-c3cc(-c4cc(C)nc(C)c4)cc(-c4ccccc4O)n3)c2)cc(C)n1.
What is the InChIKey of 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol?
The InChIKey is KCGVOCHHMNIJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4OS/c1-22-13-26(14-23(2)38-22)28-17-30(19-31(18-28)42-36-11-7-8-12-37-36)33-20-29(27-15-24(3)39-25(4)16-27)21-34(40-33)32-9-5-6-10-35(32)41/h5-21,41H,1-4H3.
What are the key properties of 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol?
2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol has a molecular weight of 566.73 g/mol, XLogP of 9.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 153304036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).