3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

C21H14N2O — CID 781705

IUPAC3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1
InChIInChI=1S/C21H14N2O/c24-14-7-5-6-13(12-14)21-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(19)23-21/h1-12,24H,(H,22,23)
InChIKeyIFXICQCGQIZYEC-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.24
Rot. Bonds1

About 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (PubChem CID 781705) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.

Molecular Properties

Compound Name3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
PubChem CID781705
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1
InChIInChI=1S/C21H14N2O/c24-14-7-5-6-13(12-14)21-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(19)23-21/h1-12,24H,(H,22,23)
InChIKeyIFXICQCGQIZYEC-UHFFFAOYSA-N
XLogP5.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-Dimethyl-2-benzimidazolyl)phenol
CID 246546
2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
Benzene, (1-methylethyl)(2-phenylethyl)-
CID 98760
3-(1H-Benzoimidazol-2-yl)-phenol
CID 763204
2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-phenylbenzen-1-olate
CID 135559082
3-[4,5-bis({[1,1'-biphenyl]-4-yl})-1H-imidazol-2-yl]phenol
CID 2259222
{amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
CID 135559081
1h-Naphth[1,2-d]imidazol-7-ol
CID 247486
6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 332972
1-[(1H-Benzimidazol-2-ylamino)methyl]-2-naphthol
CID 787416
4-(5,10-diiodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 2846971
2-(4'-tert-butylbiphenyl-3-yl)-9-hydroxy-3H-naphtho[1,2-d]imidazole-7-carboxylic acid
CID 10342985

Frequently Asked Questions

What is the IUPAC name of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The IUPAC name of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (CID 781705) is 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.
What is the SMILES notation for 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The canonical SMILES for 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is Oc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.
What is the InChIKey of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The InChIKey is IFXICQCGQIZYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c24-14-7-5-6-13(12-14)21-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(19)23-21/h1-12,24H,(H,22,23).
What are the key properties of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol has a molecular weight of 310.36 g/mol, XLogP of 5.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is sourced from PubChem (CID 781705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).