bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine)

C56H48N6O4 — CID 139060752

IUPACbis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine)
SMILESOc1ccc(Cc2ccc(O)cc2)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C13H12O2.3C10H8N2/c2*14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;3*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*1-8,14-15H,9H2;3*1-8H
InChIKeyCIZGRJDPLTXEKL-UHFFFAOYSA-N
MW869.04 g/mol
LogP11.81
Rot. Bonds7

About bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine)

bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine) (PubChem CID 139060752) has the molecular formula C56H48N6O4 and a molecular weight of 869.04 g/mol. Its IUPAC name is bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Namebis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine)
PubChem CID139060752
Molecular FormulaC56H48N6O4
Molecular Weight869.04 g/mol
Exact Mass868.37
IUPAC Namebis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine)
SMILESOc1ccc(Cc2ccc(O)cc2)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C13H12O2.3C10H8N2/c2*14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;3*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*1-8,14-15H,9H2;3*1-8H
InChIKeyCIZGRJDPLTXEKL-UHFFFAOYSA-N
XLogP11.81
TPSA158.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.04
LogP ≤ 511.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
4-[3-(4-Hydroxyphenyl)-4-pyridinyl]phenol
CID 137125251
4-[1-(4-Hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol
CID 166625710
4-[1-(4-Hydroxyphenyl)-2-pyridin-3-ylprop-1-enyl]phenol
CID 166628679
4-[1-(4-Hydroxyphenyl)-2-(pyridin-3-ylmethyl)but-1-enyl]phenol
CID 166629948
4-[1-(4-Hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
CID 166634744
4-[2-Ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol
CID 166635135
3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
4-(4-Phenyl-6-pyridin-3-yl-2-pyridinyl)phenol
CID 136086714
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
4-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091039
3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol
CID 162661295

Frequently Asked Questions

What is the IUPAC name of bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine)?
The IUPAC name of bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine) (CID 139060752) is bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine).
What is the SMILES notation for bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine)?
The canonical SMILES for bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine) is Oc1ccc(Cc2ccc(O)cc2)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine)?
The InChIKey is CIZGRJDPLTXEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12O2.3C10H8N2/c2*14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;3*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*1-8,14-15H,9H2;3*1-8H.
What are the key properties of bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine)?
bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine) has a molecular weight of 869.04 g/mol, XLogP of 11.81, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[(4-hydroxyphenyl)methyl]phenol);tris(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 139060752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).