bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine

C50H44N2O6 — CID 139058543

IUPACbis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C20H18O3.C10H8N2/c2*1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2*2-13,21-23H,1H3;1-8H
InChIKeyZRBPUIHOEGTCJW-UHFFFAOYSA-N
MW768.91 g/mol
LogP10.46
Rot. Bonds7

About bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine

bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine (PubChem CID 139058543) has the molecular formula C50H44N2O6 and a molecular weight of 768.91 g/mol. Its IUPAC name is bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine
PubChem CID139058543
Molecular FormulaC50H44N2O6
Molecular Weight768.91 g/mol
Exact Mass768.32
IUPAC Namebis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C20H18O3.C10H8N2/c2*1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2*2-13,21-23H,1H3;1-8H
InChIKeyZRBPUIHOEGTCJW-UHFFFAOYSA-N
XLogP10.46
TPSA147.16 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.91
LogP ≤ 510.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
3-[(7R,8R,9aR)-7,8-dimethyl-2-(quinolin-4-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094382
3-[(7R,8R,9aR)-7,8-dimethyl-2-(pyridin-2-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094383
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
4-[3-[(3R,4R)-3-ethyl-1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]propyl]quinolin-6-ol
CID 44534572
Rac-7-(propyl(2-(4-(4-(pyridin-3-yl)phenyl)-piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 52949517
2,6-Difluoro-4-[4-[3-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol
CID 122186024
3-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091038
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044

Frequently Asked Questions

What is the IUPAC name of bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine?
The IUPAC name of bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine (CID 139058543) is bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine?
The canonical SMILES for bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine is CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine?
The InChIKey is ZRBPUIHOEGTCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18O3.C10H8N2/c2*1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2*2-13,21-23H,1H3;1-8H.
What are the key properties of bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine?
bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine has a molecular weight of 768.91 g/mol, XLogP of 10.46, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139058543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).