3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol

C19H12N4O — CID 46866547

IUPAC3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
SMILESOc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C19H12N4O/c24-12-5-1-4-11(10-12)19-22-17-13-6-2-8-20-15(13)16-14(18(17)23-19)7-3-9-21-16/h1-10,24H,(H,22,23)
InChIKeyHHWODIIXZKUVAB-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.03
Rot. Bonds1

About 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol

3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol (PubChem CID 46866547) has the molecular formula C19H12N4O and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
PubChem CID46866547
Molecular FormulaC19H12N4O
Molecular Weight312.33 g/mol
Exact Mass312.10
IUPAC Name3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
SMILESOc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C19H12N4O/c24-12-5-1-4-11(10-12)19-22-17-13-6-2-8-20-15(13)16-14(18(17)23-19)7-3-9-21-16/h1-10,24H,(H,22,23)
InChIKeyHHWODIIXZKUVAB-UHFFFAOYSA-N
XLogP4.03
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
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 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
The IUPAC name of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol (CID 46866547) is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol.
What is the SMILES notation for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
The canonical SMILES for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol is Oc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.
What is the InChIKey of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
The InChIKey is HHWODIIXZKUVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O/c24-12-5-1-4-11(10-12)19-22-17-13-6-2-8-20-15(13)16-14(18(17)23-19)7-3-9-21-16/h1-10,24H,(H,22,23).
What are the key properties of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol?
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol has a molecular weight of 312.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol is sourced from PubChem (CID 46866547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).