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

C31H20N2O — CID 136746124

IUPAC3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1
InChIInChI=1S/C31H20N2O/c34-28-19-21-11-5-4-10-20(21)18-27(28)31-32-29-25-16-8-6-14-23(25)24-15-7-9-17-26(24)30(29)33(31)22-12-2-1-3-13-22/h1-19,34H
InChIKeyZNKFYOWHSXAZKK-UHFFFAOYSA-N
MW436.51 g/mol
LogP7.86
Rot. Bonds2

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

3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol (PubChem CID 136746124) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol
PubChem CID136746124
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1
InChIInChI=1S/C31H20N2O/c34-28-19-21-11-5-4-10-20(21)18-27(28)31-32-29-25-16-8-6-14-23(25)24-15-7-9-17-26(24)30(29)33(31)22-12-2-1-3-13-22/h1-19,34H
InChIKeyZNKFYOWHSXAZKK-UHFFFAOYSA-N
XLogP7.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 57.86
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 3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol?
The IUPAC name of 3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol (CID 136746124) is 3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol?
The canonical SMILES for 3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol is Oc1cc2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.
What is the InChIKey of 3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol?
The InChIKey is ZNKFYOWHSXAZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O/c34-28-19-21-11-5-4-10-20(21)18-27(28)31-32-29-25-16-8-6-14-23(25)24-15-7-9-17-26(24)30(29)33(31)22-12-2-1-3-13-22/h1-19,34H.
What are the key properties of 3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol?
3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol has a molecular weight of 436.51 g/mol, XLogP of 7.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol is sourced from PubChem (CID 136746124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).