bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)

C48H36N8O4 — CID 139038971

IUPACbis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)
SMILESN#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/2C12H10O2.4C6H4N2/c2*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;4*7-5-6-1-3-8-4-2-6/h2*1-8,13-14H;4*1-4H
InChIKeyFXMZFFMORDIMOE-UHFFFAOYSA-N
MW788.87 g/mol
LogP9.34
Rot. Bonds2

About bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)

bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile) (PubChem CID 139038971) has the molecular formula C48H36N8O4 and a molecular weight of 788.87 g/mol. Its IUPAC name is bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile).

Molecular Properties

Compound Namebis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)
PubChem CID139038971
Molecular FormulaC48H36N8O4
Molecular Weight788.87 g/mol
Exact Mass788.29
IUPAC Namebis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)
SMILESN#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/2C12H10O2.4C6H4N2/c2*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;4*7-5-6-1-3-8-4-2-6/h2*1-8,13-14H;4*1-4H
InChIKeyFXMZFFMORDIMOE-UHFFFAOYSA-N
XLogP9.34
TPSA227.64 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500788.87
LogP ≤ 59.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
4-[2-[4-(4-Hydroxyphenyl)-2-pyridinyl]-4-pyridinyl]phenol
CID 137267214
Phenol, 4-[2,2':6',2''-terpyridin]-4'-yl-
CID 135461974
2,4-Ditert-butyl-6-pyridin-2-ylphenol
CID 139118275
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)
CID 71401574
Tris(4-(4-hydroxyphenyl)phenol);bis(pyridin-2-amine)
CID 71427322
1,1,1-Tris(4-hydroxyphenyl)methane-bipyridine (1/1)
CID 85884984
4-(4-Hydroxyphenyl)phenol;bis(pyridine-4-carbonitrile)
CID 86241417
4-[1,1-Bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol
CID 90918469
4-[3,5-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol
CID 91576029
5,11,23-Trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
CID 137309359
bis(benzene-1,3-diol);bis(4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine);hydrate
CID 139037238

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)?
The IUPAC name of bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile) (CID 139038971) is bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile).
What is the SMILES notation for bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)?
The canonical SMILES for bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile) is N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)?
The InChIKey is FXMZFFMORDIMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10O2.4C6H4N2/c2*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;4*7-5-6-1-3-8-4-2-6/h2*1-8,13-14H;4*1-4H.
What are the key properties of bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)?
bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile) has a molecular weight of 788.87 g/mol, XLogP of 9.34, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile) is sourced from PubChem (CID 139038971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).