2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol

C26H20N2O — CID 151358085

IUPAC2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol
SMILESOCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1
InChIInChI=1S/C26H20N2O/c29-16-14-20-17-24(19-9-5-2-6-10-19)23-12-11-22-21(18-7-3-1-4-8-18)13-15-27-25(22)26(23)28-20/h1-13,15,17,29H,14,16H2
InChIKeyONWVZVYMAXVZFL-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.65
Rot. Bonds4

About 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol

2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol (PubChem CID 151358085) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol
PubChem CID151358085
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol
SMILESOCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1
InChIInChI=1S/C26H20N2O/c29-16-14-20-17-24(19-9-5-2-6-10-19)23-12-11-22-21(18-7-3-1-4-8-18)13-15-27-25(22)26(23)28-20/h1-13,15,17,29H,14,16H2
InChIKeyONWVZVYMAXVZFL-UHFFFAOYSA-N
XLogP5.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol?
The IUPAC name of 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol (CID 151358085) is 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol.
What is the SMILES notation for 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol?
The canonical SMILES for 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol is OCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1.
What is the InChIKey of 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol?
The InChIKey is ONWVZVYMAXVZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c29-16-14-20-17-24(19-9-5-2-6-10-19)23-12-11-22-21(18-7-3-1-4-8-18)13-15-27-25(22)26(23)28-20/h1-13,15,17,29H,14,16H2.
What are the key properties of 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol?
2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol has a molecular weight of 376.46 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)ethanol is sourced from PubChem (CID 151358085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).