4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol

C27H18N2O — CID 137253985

IUPAC4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C27H18N2O/c30-20-16-14-18(15-17-20)27-28-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26(25)29(27)19-8-2-1-3-9-19/h1-17,30H
InChIKeyZXFSXJOWXUSUDU-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.70
Rot. Bonds2

About 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol

4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol (PubChem CID 137253985) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
PubChem CID137253985
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C27H18N2O/c30-20-16-14-18(15-17-20)27-28-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26(25)29(27)19-8-2-1-3-9-19/h1-17,30H
InChIKeyZXFSXJOWXUSUDU-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 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
The IUPAC name of 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol (CID 137253985) is 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol.
What is the SMILES notation for 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
The canonical SMILES for 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol is Oc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1.
What is the InChIKey of 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
The InChIKey is ZXFSXJOWXUSUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c30-20-16-14-18(15-17-20)27-28-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26(25)29(27)19-8-2-1-3-9-19/h1-17,30H.
What are the key properties of 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol?
4-(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 4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol is sourced from PubChem (CID 137253985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).