2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol

C27H18N2O — CID 136731979

IUPAC2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1
InChIInChI=1S/C27H18N2O/c30-24-17-9-8-16-23(24)27-28-25-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26(25)29(27)18-10-2-1-3-11-18/h1-17,30H
InChIKeyZUCWKXRBVUHMDJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.70
Rot. Bonds2

About 2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol

2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol (PubChem CID 136731979) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol.

Molecular Properties

Compound Name2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
PubChem CID136731979
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1
InChIInChI=1S/C27H18N2O/c30-24-17-9-8-16-23(24)27-28-25-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26(25)29(27)18-10-2-1-3-11-18/h1-17,30H
InChIKeyZUCWKXRBVUHMDJ-UHFFFAOYSA-N
XLogP6.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.70
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-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
The IUPAC name of 2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol (CID 136731979) is 2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol.
What is the SMILES notation for 2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
The canonical SMILES for 2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol is Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.
What is the InChIKey of 2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
The InChIKey is ZUCWKXRBVUHMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c30-24-17-9-8-16-23(24)27-28-25-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26(25)29(27)18-10-2-1-3-11-18/h1-17,30H.
What are the key properties of 2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol has a molecular weight of 386.45 g/mol, XLogP of 6.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol is sourced from PubChem (CID 136731979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).