bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine)

C56H56N4O4 — CID 139145670

IUPACbis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine)
SMILESOc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C18H20O2.2C10H8N2/c2*19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*4-11,19-20H,1-3,12-13H2;2*1-8H
InChIKeyWVBDOALXKWFAKU-UHFFFAOYSA-N
MW849.09 g/mol
LogP12.98
Rot. Bonds6

About bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine)

bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine) (PubChem CID 139145670) has the molecular formula C56H56N4O4 and a molecular weight of 849.09 g/mol. Its IUPAC name is bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Namebis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine)
PubChem CID139145670
Molecular FormulaC56H56N4O4
Molecular Weight849.09 g/mol
Exact Mass848.43
IUPAC Namebis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine)
SMILESOc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C18H20O2.2C10H8N2/c2*19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*4-11,19-20H,1-3,12-13H2;2*1-8H
InChIKeyWVBDOALXKWFAKU-UHFFFAOYSA-N
XLogP12.98
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.09
LogP ≤ 512.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine)?
The IUPAC name of bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine) (CID 139145670) is bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine).
What is the SMILES notation for bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine)?
The canonical SMILES for bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine) is Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine)?
The InChIKey is WVBDOALXKWFAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20O2.2C10H8N2/c2*19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*4-11,19-20H,1-3,12-13H2;2*1-8H.
What are the key properties of bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine)?
bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine) has a molecular weight of 849.09 g/mol, XLogP of 12.98, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[1-(4-hydroxyphenyl)cyclohexyl]phenol);bis(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 139145670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).