4,7-bis(4-methoxyphenyl)-1,10-phenanthroline

C26H20N2O2 — CID 57356965

IUPAC4,7-bis(4-methoxyphenyl)-1,10-phenanthroline
SMILESCOc1ccc(-c2ccnc3c2ccc2c(-c4ccc(OC)cc4)ccnc23)cc1
InChIInChI=1S/C26H20N2O2/c1-29-19-7-3-17(4-8-19)21-13-15-27-25-23(21)11-12-24-22(14-16-28-26(24)25)18-5-9-20(30-2)10-6-18/h3-16H,1-2H3
InChIKeyFUOQHQZASFBART-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.13
Rot. Bonds4

About 4,7-bis(4-methoxyphenyl)-1,10-phenanthroline

4,7-bis(4-methoxyphenyl)-1,10-phenanthroline (PubChem CID 57356965) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4,7-bis(4-methoxyphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-bis(4-methoxyphenyl)-1,10-phenanthroline
PubChem CID57356965
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name4,7-bis(4-methoxyphenyl)-1,10-phenanthroline
SMILESCOc1ccc(-c2ccnc3c2ccc2c(-c4ccc(OC)cc4)ccnc23)cc1
InChIInChI=1S/C26H20N2O2/c1-29-19-7-3-17(4-8-19)21-13-15-27-25-23(21)11-12-24-22(14-16-28-26(24)25)18-5-9-20(30-2)10-6-18/h3-16H,1-2H3
InChIKeyFUOQHQZASFBART-UHFFFAOYSA-N
XLogP6.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.13
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-bis(4-methoxyphenyl)-1,10-phenanthroline?
The IUPAC name of 4,7-bis(4-methoxyphenyl)-1,10-phenanthroline (CID 57356965) is 4,7-bis(4-methoxyphenyl)-1,10-phenanthroline.
What is the SMILES notation for 4,7-bis(4-methoxyphenyl)-1,10-phenanthroline?
The canonical SMILES for 4,7-bis(4-methoxyphenyl)-1,10-phenanthroline is COc1ccc(-c2ccnc3c2ccc2c(-c4ccc(OC)cc4)ccnc23)cc1.
What is the InChIKey of 4,7-bis(4-methoxyphenyl)-1,10-phenanthroline?
The InChIKey is FUOQHQZASFBART-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-29-19-7-3-17(4-8-19)21-13-15-27-25-23(21)11-12-24-22(14-16-28-26(24)25)18-5-9-20(30-2)10-6-18/h3-16H,1-2H3.
What are the key properties of 4,7-bis(4-methoxyphenyl)-1,10-phenanthroline?
4,7-bis(4-methoxyphenyl)-1,10-phenanthroline has a molecular weight of 392.46 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-methoxyphenyl)-1,10-phenanthroline is sourced from PubChem (CID 57356965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).