2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))

C24H17Au2NO2 — CID 177482681

IUPAC2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))
SMILES[Au+].[Au+].[C-]#CCOc1ccc(C(c2ccc(OCC#[C-])cc2)c2ccccn2)cc1
InChIInChI=1S/C24H17NO2.2Au/c1-3-17-26-21-12-8-19(9-13-21)24(23-7-5-6-16-25-23)20-10-14-22(15-11-20)27-18-4-2;;/h5-16,24H,17-18H2;;/q-2;2*+1
InChIKeyPLBXMOHKDYPYGI-UHFFFAOYSA-N
MW745.34 g/mol
LogP4.19
Rot. Bonds7

About 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))

2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+)) (PubChem CID 177482681) has the molecular formula C24H17Au2NO2 and a molecular weight of 745.34 g/mol. Its IUPAC name is 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+)).

Molecular Properties

Compound Name2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))
PubChem CID177482681
Molecular FormulaC24H17Au2NO2
Molecular Weight745.34 g/mol
Exact Mass745.06
IUPAC Name2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))
SMILES[Au+].[Au+].[C-]#CCOc1ccc(C(c2ccc(OCC#[C-])cc2)c2ccccn2)cc1
InChIInChI=1S/C24H17NO2.2Au/c1-3-17-26-21-12-8-19(9-13-21)24(23-7-5-6-16-25-23)20-10-14-22(15-11-20)27-18-4-2;;/h5-16,24H,17-18H2;;/q-2;2*+1
InChIKeyPLBXMOHKDYPYGI-UHFFFAOYSA-N
XLogP4.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500745.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+)) 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

2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid
CID 155797235
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81393551
sodium [4-[[4-(carboxymethoxy)phenyl]-pyridin-2-ylmethyl]phenyl] sulfate
CID 155797231
[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
CID 71491789
[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] trifluoromethanesulfonate
CID 89286436
4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 71113745
1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020
[4-[pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]phenyl] acetate
CID 162673252
2-[3-[phenyl(pyridin-2-yl)methyl]phenyl]pyridine
CID 146224739
4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol
CID 155121466

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))?
The IUPAC name of 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+)) (CID 177482681) is 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+)).
What is the SMILES notation for 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))?
The canonical SMILES for 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+)) is [Au+].[Au+].[C-]#CCOc1ccc(C(c2ccc(OCC#[C-])cc2)c2ccccn2)cc1.
What is the InChIKey of 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))?
The InChIKey is PLBXMOHKDYPYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO2.2Au/c1-3-17-26-21-12-8-19(9-13-21)24(23-7-5-6-16-25-23)20-10-14-22(15-11-20)27-18-4-2;;/h5-16,24H,17-18H2;;/q-2;2*+1.
What are the key properties of 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+))?
2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+)) has a molecular weight of 745.34 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-prop-2-ynoxyphenyl)methyl]pyridine;bis(gold(1+)) is sourced from PubChem (CID 177482681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).