2-phenyl-1H-phenanthro[9,10-d]imidazole

C21H14N2 — CID 626372

IUPAC2-phenyl-1H-phenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C21H14N2/c1-2-8-14(9-3-1)21-22-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)23-21/h1-13H,(H,22,23)
InChIKeyDULAFGGSBLJMNV-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.54
Rot. Bonds1

About 2-phenyl-1H-phenanthro[9,10-d]imidazole

2-phenyl-1H-phenanthro[9,10-d]imidazole (PubChem CID 626372) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-phenyl-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-phenyl-1H-phenanthro[9,10-d]imidazole
PubChem CID626372
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name2-phenyl-1H-phenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C21H14N2/c1-2-8-14(9-3-1)21-22-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)23-21/h1-13H,(H,22,23)
InChIKeyDULAFGGSBLJMNV-UHFFFAOYSA-N
XLogP5.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-phenyl-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-phenyl-1H-phenanthro[9,10-d]imidazole (CID 626372) is 2-phenyl-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-phenyl-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-phenyl-1H-phenanthro[9,10-d]imidazole is c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1.
What is the InChIKey of 2-phenyl-1H-phenanthro[9,10-d]imidazole?
The InChIKey is DULAFGGSBLJMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-2-8-14(9-3-1)21-22-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)23-21/h1-13H,(H,22,23).
What are the key properties of 2-phenyl-1H-phenanthro[9,10-d]imidazole?
2-phenyl-1H-phenanthro[9,10-d]imidazole has a molecular weight of 294.36 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 626372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).