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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Related Compounds

2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline
CID 57780008
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
2-[2-(3,4-Dimethoxyphenyl)vinyl]quinoxaline
CID 5876917
Quinoxaline, 2,3-bis(4-methoxyphenyl)-6-methyl-
CID 215802

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).