[4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol

C28H22N4O2 — CID 101341877

IUPAC[4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol
SMILESOC(c1ccc(C(O)(c2ccccn2)c2ccccn2)cc1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C28H22N4O2/c33-27(23-9-1-5-17-29-23,24-10-2-6-18-30-24)21-13-15-22(16-14-21)28(34,25-11-3-7-19-31-25)26-12-4-8-20-32-26/h1-20,33-34H
InChIKeyHZUDDPWGZXEJIL-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.84
Rot. Bonds6

About [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol

[4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol (PubChem CID 101341877) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol.

Molecular Properties

Compound Name[4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol
PubChem CID101341877
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC Name[4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol
SMILESOC(c1ccc(C(O)(c2ccccn2)c2ccccn2)cc1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C28H22N4O2/c33-27(23-9-1-5-17-29-23,24-10-2-6-18-30-24)21-13-15-22(16-14-21)28(34,25-11-3-7-19-31-25)26-12-4-8-20-32-26/h1-20,33-34H
InChIKeyHZUDDPWGZXEJIL-UHFFFAOYSA-N
XLogP3.84
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cinchonidine
CID 101744
Cinchonine
CID 90454
Alpha-quinidine
CID 2757
Pirmenol
CID 65502
(9R)-Cinchonan-9-ol
CID 5702153
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246
(3R)-3-(4-Quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 10404387
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 443155
3-Quinuclidinol, 3-(2-pyridyl)-
CID 208598

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol?
The IUPAC name of [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol (CID 101341877) is [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol.
What is the SMILES notation for [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol?
The canonical SMILES for [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol is OC(c1ccc(C(O)(c2ccccn2)c2ccccn2)cc1)(c1ccccn1)c1ccccn1.
What is the InChIKey of [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol?
The InChIKey is HZUDDPWGZXEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2/c33-27(23-9-1-5-17-29-23,24-10-2-6-18-30-24)21-13-15-22(16-14-21)28(34,25-11-3-7-19-31-25)26-12-4-8-20-32-26/h1-20,33-34H.
What are the key properties of [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol?
[4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol has a molecular weight of 446.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(dipyridin-2-yl)methyl]phenyl]-dipyridin-2-ylmethanol is sourced from PubChem (CID 101341877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).