4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol

C32H28N2O3 — CID 90918469

IUPAC4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol
SMILESOc1ccc(C(CC(Cc2ccncc2)c2ccncc2)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C32H28N2O3/c35-29-7-1-26(2-8-29)32(27-3-9-30(36)10-4-27,28-5-11-31(37)12-6-28)22-25(24-15-19-34-20-16-24)21-23-13-17-33-18-14-23/h1-20,25,35-37H,21-22H2
InChIKeyFOCGANSWURQZPX-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.34
Rot. Bonds8

About 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol

4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol (PubChem CID 90918469) has the molecular formula C32H28N2O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol.

Molecular Properties

Compound Name4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol
PubChem CID90918469
Molecular FormulaC32H28N2O3
Molecular Weight488.59 g/mol
Exact Mass488.21
IUPAC Name4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol
SMILESOc1ccc(C(CC(Cc2ccncc2)c2ccncc2)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C32H28N2O3/c35-29-7-1-26(2-8-29)32(27-3-9-30(36)10-4-27,28-5-11-31(37)12-6-28)22-25(24-15-19-34-20-16-24)21-23-13-17-33-18-14-23/h1-20,25,35-37H,21-22H2
InChIKeyFOCGANSWURQZPX-UHFFFAOYSA-N
XLogP6.34
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol 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
4-[5-(Pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzene-1,2-diol
CID 25033728
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol
CID 46901610
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol?
The IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol (CID 90918469) is 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol.
What is the SMILES notation for 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol?
The canonical SMILES for 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol is Oc1ccc(C(CC(Cc2ccncc2)c2ccncc2)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol?
The InChIKey is FOCGANSWURQZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O3/c35-29-7-1-26(2-8-29)32(27-3-9-30(36)10-4-27,28-5-11-31(37)12-6-28)22-25(24-15-19-34-20-16-24)21-23-13-17-33-18-14-23/h1-20,25,35-37H,21-22H2.
What are the key properties of 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol?
4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol has a molecular weight of 488.59 g/mol, XLogP of 6.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-hydroxyphenyl)-3,4-dipyridin-4-ylbutyl]phenol is sourced from PubChem (CID 90918469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).