4,7-diphenoxy-1,10-phenanthroline

C24H16N2O2 — CID 23423818

IUPAC4,7-diphenoxy-1,10-phenanthroline
SMILESc1ccc(Oc2ccnc3c2ccc2c(Oc4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)27-21-13-15-25-23-19(21)11-12-20-22(14-16-26-24(20)23)28-18-9-5-2-6-10-18/h1-16H
InChIKeyOYAHFWUSCISSRJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP6.37
Rot. Bonds4

About 4,7-diphenoxy-1,10-phenanthroline

4,7-diphenoxy-1,10-phenanthroline (PubChem CID 23423818) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4,7-diphenoxy-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-diphenoxy-1,10-phenanthroline
PubChem CID23423818
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name4,7-diphenoxy-1,10-phenanthroline
SMILESc1ccc(Oc2ccnc3c2ccc2c(Oc4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)27-21-13-15-25-23-19(21)11-12-20-22(14-16-26-24(20)23)28-18-9-5-2-6-10-18/h1-16H
InChIKeyOYAHFWUSCISSRJ-UHFFFAOYSA-N
XLogP6.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 56.37
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 4,7-diphenoxy-1,10-phenanthroline?
The IUPAC name of 4,7-diphenoxy-1,10-phenanthroline (CID 23423818) is 4,7-diphenoxy-1,10-phenanthroline.
What is the SMILES notation for 4,7-diphenoxy-1,10-phenanthroline?
The canonical SMILES for 4,7-diphenoxy-1,10-phenanthroline is c1ccc(Oc2ccnc3c2ccc2c(Oc4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-diphenoxy-1,10-phenanthroline?
The InChIKey is OYAHFWUSCISSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)27-21-13-15-25-23-19(21)11-12-20-22(14-16-26-24(20)23)28-18-9-5-2-6-10-18/h1-16H.
What are the key properties of 4,7-diphenoxy-1,10-phenanthroline?
4,7-diphenoxy-1,10-phenanthroline has a molecular weight of 364.40 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenoxy-1,10-phenanthroline is sourced from PubChem (CID 23423818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).