benzene-1,3,5-triol;tris(pyridine-4-carbonitrile)

C24H18N6O3 — CID 139038976

IUPACbenzene-1,3,5-triol;tris(pyridine-4-carbonitrile)
SMILESN#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.Oc1cc(O)cc(O)c1
InChIInChI=1S/3C6H4N2.C6H6O3/c3*7-5-6-1-3-8-4-2-6;7-4-1-5(8)3-6(9)2-4/h3*1-4H;1-3,7-9H
InChIKeyGFFKCOWEIMVLQH-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.66
Rot. Bonds

About benzene-1,3,5-triol;tris(pyridine-4-carbonitrile)

benzene-1,3,5-triol;tris(pyridine-4-carbonitrile) (PubChem CID 139038976) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is benzene-1,3,5-triol;tris(pyridine-4-carbonitrile).

Molecular Properties

Compound Namebenzene-1,3,5-triol;tris(pyridine-4-carbonitrile)
PubChem CID139038976
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC Namebenzene-1,3,5-triol;tris(pyridine-4-carbonitrile)
SMILESN#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.Oc1cc(O)cc(O)c1
InChIInChI=1S/3C6H4N2.C6H6O3/c3*7-5-6-1-3-8-4-2-6;7-4-1-5(8)3-6(9)2-4/h3*1-4H;1-3,7-9H
InChIKeyGFFKCOWEIMVLQH-UHFFFAOYSA-N
XLogP3.66
TPSA170.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1,3-Benzenediol, 5-[(1E)-2-(4-pyridinyl)ethenyl]-
CID 11564746
5-(2,6-Dipyridin-2-yl-4-pyridinyl)benzene-1,3-diol
CID 23516660
Benzene-1,3-diol;4-(2-pyridin-4-ylethyl)pyridine
CID 85802383
4-(4-Hydroxyphenyl)phenol;bis(pyridine-4-carbonitrile)
CID 86241417
Resorcinol.4-vinylpyridine
CID 129694724
4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine
CID 139037237
Bis(3-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine
CID 139038966
3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139038967
bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139038968
4-(4-Hydroxyphenyl)phenol;bis(pyridine-3-carbonitrile)
CID 139038969
Bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine
CID 139038973
Bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine
CID 139038974

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-triol;tris(pyridine-4-carbonitrile)?
The IUPAC name of benzene-1,3,5-triol;tris(pyridine-4-carbonitrile) (CID 139038976) is benzene-1,3,5-triol;tris(pyridine-4-carbonitrile).
What is the SMILES notation for benzene-1,3,5-triol;tris(pyridine-4-carbonitrile)?
The canonical SMILES for benzene-1,3,5-triol;tris(pyridine-4-carbonitrile) is N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.Oc1cc(O)cc(O)c1.
What is the InChIKey of benzene-1,3,5-triol;tris(pyridine-4-carbonitrile)?
The InChIKey is GFFKCOWEIMVLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H4N2.C6H6O3/c3*7-5-6-1-3-8-4-2-6;7-4-1-5(8)3-6(9)2-4/h3*1-4H;1-3,7-9H.
What are the key properties of benzene-1,3,5-triol;tris(pyridine-4-carbonitrile)?
benzene-1,3,5-triol;tris(pyridine-4-carbonitrile) has a molecular weight of 438.45 g/mol, XLogP of 3.66, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triol;tris(pyridine-4-carbonitrile) is sourced from PubChem (CID 139038976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).