phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol

C41H42N2O — CID 102082281

IUPACphenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol
SMILESOC(c1ccccc1)(c1cccc(CC/C=C/CCc2ccccc2)n1)c1cccc(CC/C=C/CCc2ccccc2)n1
InChIInChI=1S/C41H42N2O/c44-41(36-26-14-7-15-27-36,39-32-18-30-37(42-39)28-16-3-1-8-20-34-22-10-5-11-23-34)40-33-19-31-38(43-40)29-17-4-2-9-21-35-24-12-6-13-25-35/h1-7,10-15,18-19,22-27,30-33,44H,8-9,16-17,20-21,28-29H2/b3-1+,4-2+
InChIKeyUPBYGOBUEHHLGH-ZPUQHVIOSA-N
MW578.80 g/mol
LogP9.00
Rot. Bonds15

About phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol

phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol (PubChem CID 102082281) has the molecular formula C41H42N2O and a molecular weight of 578.80 g/mol. Its IUPAC name is phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Namephenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol
PubChem CID102082281
Molecular FormulaC41H42N2O
Molecular Weight578.80 g/mol
Exact Mass578.33
IUPAC Namephenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol
SMILESOC(c1ccccc1)(c1cccc(CC/C=C/CCc2ccccc2)n1)c1cccc(CC/C=C/CCc2ccccc2)n1
InChIInChI=1S/C41H42N2O/c44-41(36-26-14-7-15-27-36,39-32-18-30-37(42-39)28-16-3-1-8-20-34-22-10-5-11-23-34)40-33-19-31-38(43-40)29-17-4-2-9-21-35-24-12-6-13-25-35/h1-7,10-15,18-19,22-27,30-33,44H,8-9,16-17,20-21,28-29H2/b3-1+,4-2+
InChIKeyUPBYGOBUEHHLGH-ZPUQHVIOSA-N
XLogP9.00
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-1-(2-quinolinyl)ethanol
CID 273212
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
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CID 10427620
2,6-Bis(diphenylhydroxymethyl)piperidine
CID 94051
Isoquinolin-1-yl(diphenyl)methanol
CID 230505
1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
CID 10402261
1,1'-(Pyridine-2,6-diyl)bis(1,2-diphenylethan-1-ol)
CID 94052
2,6-Bis(dibenzylhydroxymethyl)piperidines
CID 94053
1,2-Diphenyl-1-(pyridin-2-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 210784
1-Phenyl-4-(1-piperidinyl)-1-(2-pyridinyl)-1-butanol hydrochloride
CID 14810560
Phenyl-[7-[phenyl(pyridin-2-yl)methylidene]-2-bicyclo[2.2.1]hept-2-enyl]-pyridin-2-ylmethanol
CID 44424920
1,9-Bis(2-pyridyl)phenalen-1-ol
CID 46907260

Frequently Asked Questions

What is the IUPAC name of phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol?
The IUPAC name of phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol (CID 102082281) is phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol.
What is the SMILES notation for phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol?
The canonical SMILES for phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol is OC(c1ccccc1)(c1cccc(CC/C=C/CCc2ccccc2)n1)c1cccc(CC/C=C/CCc2ccccc2)n1.
What is the InChIKey of phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol?
The InChIKey is UPBYGOBUEHHLGH-ZPUQHVIOSA-N. The full InChI is InChI=1S/C41H42N2O/c44-41(36-26-14-7-15-27-36,39-32-18-30-37(42-39)28-16-3-1-8-20-34-22-10-5-11-23-34)40-33-19-31-38(43-40)29-17-4-2-9-21-35-24-12-6-13-25-35/h1-7,10-15,18-19,22-27,30-33,44H,8-9,16-17,20-21,28-29H2/b3-1+,4-2+.
What are the key properties of phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol?
phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol has a molecular weight of 578.80 g/mol, XLogP of 9.00, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis[6-[(E)-6-phenylhex-3-enyl]-2-pyridinyl]methanol is sourced from PubChem (CID 102082281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).