tris(6-pyridin-2-yl-2-pyridinyl)methanol

C31H22N6O — CID 90818925

IUPACtris(6-pyridin-2-yl-2-pyridinyl)methanol
SMILESOC(c1cccc(-c2ccccn2)n1)(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C31H22N6O/c38-31(28-16-7-13-25(35-28)22-10-1-4-19-32-22,29-17-8-14-26(36-29)23-11-2-5-20-33-23)30-18-9-15-27(37-30)24-12-3-6-21-34-24/h1-21,38H
InChIKeyRGPPTVUNGRASAK-UHFFFAOYSA-N
MW494.56 g/mol
LogP5.34
Rot. Bonds6

About tris(6-pyridin-2-yl-2-pyridinyl)methanol

tris(6-pyridin-2-yl-2-pyridinyl)methanol (PubChem CID 90818925) has the molecular formula C31H22N6O and a molecular weight of 494.56 g/mol. Its IUPAC name is tris(6-pyridin-2-yl-2-pyridinyl)methanol.

Molecular Properties

Compound Nametris(6-pyridin-2-yl-2-pyridinyl)methanol
PubChem CID90818925
Molecular FormulaC31H22N6O
Molecular Weight494.56 g/mol
Exact Mass494.19
IUPAC Nametris(6-pyridin-2-yl-2-pyridinyl)methanol
SMILESOC(c1cccc(-c2ccccn2)n1)(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C31H22N6O/c38-31(28-16-7-13-25(35-28)22-10-1-4-19-32-22,29-17-8-14-26(36-29)23-11-2-5-20-33-23)30-18-9-15-27(37-30)24-12-3-6-21-34-24/h1-21,38H
InChIKeyRGPPTVUNGRASAK-UHFFFAOYSA-N
XLogP5.34
TPSA97.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
3-Quinuclidinol, 3-(2-pyridyl)-
CID 208598
Tripyridin-2-ylmethanol
CID 4400709
3-(4-Pyridin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol
CID 9838609
Pyrinoline
CID 3052765
4-Phenyl-1-(phenyl(pyridin-2-yl)methyl)piperidin-4-ol
CID 44426822
2,3-Di(2-pyridyl)-2,3-butanediol
CID 579625
Osmium(2+), bis(2,2'-bipyridine-N,N')(mu-(1,4-bis((2,2':6',2''-terpyridin)-6-ylmethyl)-1,4-cyclohexanediol-N(sup 1),N(sup 1'),N(sup 1''):N(sup 4),N(sup 4'),N(sup 4''))-dichlorodi-, dichloride
CID 3044407
Dihydroxyosmarine tetrachloride
CID 11980054
1-Phenyl-4-(1-piperidinyl)-1-(2-pyridinyl)-1-butanol hydrochloride
CID 14810560
3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1,1-dipyridin-2-ylprop-2-yn-1-ol
CID 44406464
Phenyl-[7-[phenyl(pyridin-2-yl)methylidene]-2-bicyclo[2.2.1]hept-2-enyl]-pyridin-2-ylmethanol
CID 44424920

Frequently Asked Questions

What is the IUPAC name of tris(6-pyridin-2-yl-2-pyridinyl)methanol?
The IUPAC name of tris(6-pyridin-2-yl-2-pyridinyl)methanol (CID 90818925) is tris(6-pyridin-2-yl-2-pyridinyl)methanol.
What is the SMILES notation for tris(6-pyridin-2-yl-2-pyridinyl)methanol?
The canonical SMILES for tris(6-pyridin-2-yl-2-pyridinyl)methanol is OC(c1cccc(-c2ccccn2)n1)(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.
What is the InChIKey of tris(6-pyridin-2-yl-2-pyridinyl)methanol?
The InChIKey is RGPPTVUNGRASAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6O/c38-31(28-16-7-13-25(35-28)22-10-1-4-19-32-22,29-17-8-14-26(36-29)23-11-2-5-20-33-23)30-18-9-15-27(37-30)24-12-3-6-21-34-24/h1-21,38H.
What are the key properties of tris(6-pyridin-2-yl-2-pyridinyl)methanol?
tris(6-pyridin-2-yl-2-pyridinyl)methanol has a molecular weight of 494.56 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-pyridin-2-yl-2-pyridinyl)methanol is sourced from PubChem (CID 90818925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).