2,9-bis(2-methoxyphenyl)-1,10-phenanthroline

C26H20N2O2 — CID 10691911

IUPAC2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
SMILESCOc1ccccc1-c1ccc2ccc3ccc(-c4ccccc4OC)nc3c2n1
InChIInChI=1S/C26H20N2O2/c1-29-23-9-5-3-7-19(23)21-15-13-17-11-12-18-14-16-22(28-26(18)25(17)27-21)20-8-4-6-10-24(20)30-2/h3-16H,1-2H3
InChIKeyQHWIGCVRKNNOES-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.13
Rot. Bonds4

About 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline

2,9-bis(2-methoxyphenyl)-1,10-phenanthroline (PubChem CID 10691911) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
PubChem CID10691911
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
SMILESCOc1ccccc1-c1ccc2ccc3ccc(-c4ccccc4OC)nc3c2n1
InChIInChI=1S/C26H20N2O2/c1-29-23-9-5-3-7-19(23)21-15-13-17-11-12-18-14-16-22(28-26(18)25(17)27-21)20-8-4-6-10-24(20)30-2/h3-16H,1-2H3
InChIKeyQHWIGCVRKNNOES-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-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308
2-(2-methoxyphenyl)-8-(2-methylimidazol-1-yl)quinoline
CID 71111443
6-(2-methoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 163213178
6-chloro-2-(2-methoxyphenyl)quinoline
CID 39818676
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
CID 82452851
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
5-(2-methoxyphenyl)-2-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 117000974
[6-(2-methoxyphenyl)-2-pyridinyl]methanol
CID 24730094
2-methoxy-6-(2-methoxyphenyl)pyrazine
CID 135043154
2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 116533920
[6-(2-methoxyphenyl)pyridazin-3-yl]hydrazine
CID 23422537

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline?
The IUPAC name of 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline (CID 10691911) is 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline is COc1ccccc1-c1ccc2ccc3ccc(-c4ccccc4OC)nc3c2n1.
What is the InChIKey of 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline?
The InChIKey is QHWIGCVRKNNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-29-23-9-5-3-7-19(23)21-15-13-17-11-12-18-14-16-22(28-26(18)25(17)27-21)20-8-4-6-10-24(20)30-2/h3-16H,1-2H3.
What are the key properties of 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline?
2,9-bis(2-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 2,9-bis(2-methoxyphenyl)-1,10-phenanthroline is sourced from PubChem (CID 10691911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).