3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol

C34H31NO2 — CID 122229804

IUPAC3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol
SMILESOC(CCc1cccc(CC(O)(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H31NO2/c36-33(27-14-5-1-6-15-27,28-16-7-2-8-17-28)25-24-31-22-13-23-32(35-31)26-34(37,29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-23,36-37H,24-26H2
InChIKeyMPUGQEATHVGJCQ-UHFFFAOYSA-N
MW485.63 g/mol
LogP6.43
Rot. Bonds9

About 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol

3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol (PubChem CID 122229804) has the molecular formula C34H31NO2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol
PubChem CID122229804
Molecular FormulaC34H31NO2
Molecular Weight485.63 g/mol
Exact Mass485.24
IUPAC Name3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol
SMILESOC(CCc1cccc(CC(O)(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H31NO2/c36-33(27-14-5-1-6-15-27,28-16-7-2-8-17-28)25-24-31-22-13-23-32(35-31)26-34(37,29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-23,36-37H,24-26H2
InChIKeyMPUGQEATHVGJCQ-UHFFFAOYSA-N
XLogP6.43
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
4-(4,6-Diphenyl-2-pyridinyl)phenol
CID 135838975
4-[2,6-Bis(4-hydroxyphenyl)-4-pyridinyl]phenol
CID 136236482
pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt
CID 87214
2,6-Bis(3-hydroxyphenyl)-4-phenylpyridine
CID 46887181
3-(2,6-Diphenyl-4-pyridinyl)phenol
CID 46887217
1-(4-Hydroxyphenyl)-2,4,6-triphenylpyridinium perchlorate
CID 12627145
3-[2,6-Bis(3-hydroxyphenyl)-4-pyridinyl]phenol
CID 118710766
4-[2-(4-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 136126509
2-[2-(3-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 136126547
2-[2-(4-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 136126612

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol (CID 122229804) is 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol is OC(CCc1cccc(CC(O)(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol?
The InChIKey is MPUGQEATHVGJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO2/c36-33(27-14-5-1-6-15-27,28-16-7-2-8-17-28)25-24-31-22-13-23-32(35-31)26-34(37,29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-23,36-37H,24-26H2.
What are the key properties of 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol?
3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol has a molecular weight of 485.63 g/mol, XLogP of 6.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 122229804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).