2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline

C24H18N4O2 — CID 91438612

IUPAC2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline
SMILESc1cc(COc2ccc3ccc4ccc(OCc5ccncc5)nc4c3n2)ccn1
InChIInChI=1S/C24H18N4O2/c1-2-20-4-6-22(30-16-18-9-13-26-14-10-18)28-24(20)23-19(1)3-5-21(27-23)29-15-17-7-11-25-12-8-17/h1-14H,15-16H2
InChIKeyCHEWSJBFMOQIAH-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.73
Rot. Bonds6

About 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline

2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline (PubChem CID 91438612) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline
PubChem CID91438612
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline
SMILESc1cc(COc2ccc3ccc4ccc(OCc5ccncc5)nc4c3n2)ccn1
InChIInChI=1S/C24H18N4O2/c1-2-20-4-6-22(30-16-18-9-13-26-14-10-18)28-24(20)23-19(1)3-5-21(27-23)29-15-17-7-11-25-12-8-17/h1-14H,15-16H2
InChIKeyCHEWSJBFMOQIAH-UHFFFAOYSA-N
XLogP4.73
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
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8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
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8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
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3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}quinoline
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6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
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3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 46238348
7-Fluoro-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71455625
7-Iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
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Frequently Asked Questions

What is the IUPAC name of 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline?
The IUPAC name of 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline (CID 91438612) is 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline is c1cc(COc2ccc3ccc4ccc(OCc5ccncc5)nc4c3n2)ccn1.
What is the InChIKey of 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline?
The InChIKey is CHEWSJBFMOQIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-2-20-4-6-22(30-16-18-9-13-26-14-10-18)28-24(20)23-19(1)3-5-21(27-23)29-15-17-7-11-25-12-8-17/h1-14H,15-16H2.
What are the key properties of 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline?
2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline has a molecular weight of 394.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(pyridin-4-ylmethoxy)-1,10-phenanthroline is sourced from PubChem (CID 91438612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).