2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline

C30H21N3O — CID 134223899

IUPAC2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(COc2ccc(-c3ccc4ccc5cccnc5c4n3)cc2-c2ccccn2)cc1
InChIInChI=1S/C30H21N3O/c1-2-7-21(8-3-1)20-34-28-16-14-24(19-25(28)27-10-4-5-17-31-27)26-15-13-23-12-11-22-9-6-18-32-29(22)30(23)33-26/h1-19H,20H2
InChIKeyLILOJGFMQPIJAD-UHFFFAOYSA-N
MW439.52 g/mol
LogP7.09
Rot. Bonds5

About 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline

2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline (PubChem CID 134223899) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline
PubChem CID134223899
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(COc2ccc(-c3ccc4ccc5cccnc5c4n3)cc2-c2ccccn2)cc1
InChIInChI=1S/C30H21N3O/c1-2-7-21(8-3-1)20-34-28-16-14-24(19-25(28)27-10-4-5-17-31-27)26-15-13-23-12-11-22-9-6-18-32-29(22)30(23)33-26/h1-19H,20H2
InChIKeyLILOJGFMQPIJAD-UHFFFAOYSA-N
XLogP7.09
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline (CID 134223899) is 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline is c1ccc(COc2ccc(-c3ccc4ccc5cccnc5c4n3)cc2-c2ccccn2)cc1.
What is the InChIKey of 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline?
The InChIKey is LILOJGFMQPIJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c1-2-7-21(8-3-1)20-34-28-16-14-24(19-25(28)27-10-4-5-17-31-27)26-15-13-23-12-11-22-9-6-18-32-29(22)30(23)33-26/h1-19H,20H2.
What are the key properties of 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline?
2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline has a molecular weight of 439.52 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 134223899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).