benzene-1,3,5-triol;bis(4-phenylpyridine)

C28H24N2O3 — CID 139064569

IUPACbenzene-1,3,5-triol;bis(4-phenylpyridine)
SMILESOc1cc(O)cc(O)c1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/2C11H9N.C6H6O3/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;7-4-1-5(8)3-6(9)2-4/h2*1-9H;1-3,7-9H
InChIKeyDSXASTKESVHVKY-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.30
Rot. Bonds2

About benzene-1,3,5-triol;bis(4-phenylpyridine)

benzene-1,3,5-triol;bis(4-phenylpyridine) (PubChem CID 139064569) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is benzene-1,3,5-triol;bis(4-phenylpyridine).

Molecular Properties

Compound Namebenzene-1,3,5-triol;bis(4-phenylpyridine)
PubChem CID139064569
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Namebenzene-1,3,5-triol;bis(4-phenylpyridine)
SMILESOc1cc(O)cc(O)c1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/2C11H9N.C6H6O3/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;7-4-1-5(8)3-6(9)2-4/h2*1-9H;1-3,7-9H
InChIKeyDSXASTKESVHVKY-UHFFFAOYSA-N
XLogP6.30
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
US9682910, 4-(Pyridin-ylmethyl)benzene-1,3-diol (7)
CID 59152424
4-[5-(4-Hydroxyphenyl)-3-pyridinyl]phenol
CID 10422855
4''-(2-Methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-3-ol
CID 46854605
3-(4-Hydroxybenzylidene)anabaseine
CID 135530053
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
3-[3,4-Dimethyl-1-(2-pyridin-4-yl-ethyl)-piperidin-4-yl]-phenol
CID 10041075

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-triol;bis(4-phenylpyridine)?
The IUPAC name of benzene-1,3,5-triol;bis(4-phenylpyridine) (CID 139064569) is benzene-1,3,5-triol;bis(4-phenylpyridine).
What is the SMILES notation for benzene-1,3,5-triol;bis(4-phenylpyridine)?
The canonical SMILES for benzene-1,3,5-triol;bis(4-phenylpyridine) is Oc1cc(O)cc(O)c1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.
What is the InChIKey of benzene-1,3,5-triol;bis(4-phenylpyridine)?
The InChIKey is DSXASTKESVHVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9N.C6H6O3/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;7-4-1-5(8)3-6(9)2-4/h2*1-9H;1-3,7-9H.
What are the key properties of benzene-1,3,5-triol;bis(4-phenylpyridine)?
benzene-1,3,5-triol;bis(4-phenylpyridine) has a molecular weight of 436.51 g/mol, XLogP of 6.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triol;bis(4-phenylpyridine) is sourced from PubChem (CID 139064569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).