2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole

C28H19FN2 — CID 123281339

IUPAC2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole
SMILESCc1ccc(-n2c(-c3ccc(F)cc3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C28H19FN2/c1-18-10-16-21(17-11-18)31-27-25-9-5-3-7-23(25)22-6-2-4-8-24(22)26(27)30-28(31)19-12-14-20(29)15-13-19/h2-17H,1H3
InChIKeyXEXLGUJHVBJABA-UHFFFAOYSA-N
MW402.47 g/mol
LogP7.45
Rot. Bonds2

About 2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole

2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole (PubChem CID 123281339) has the molecular formula C28H19FN2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole
PubChem CID123281339
Molecular FormulaC28H19FN2
Molecular Weight402.47 g/mol
Exact Mass402.15
IUPAC Name2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole
SMILESCc1ccc(-n2c(-c3ccc(F)cc3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C28H19FN2/c1-18-10-16-21(17-11-18)31-27-25-9-5-3-7-23(25)22-6-2-4-8-24(22)26(27)30-28(31)19-12-14-20(29)15-13-19/h2-17H,1H3
InChIKeyXEXLGUJHVBJABA-UHFFFAOYSA-N
XLogP7.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole (CID 123281339) is 2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole is Cc1ccc(-n2c(-c3ccc(F)cc3)nc3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole?
The InChIKey is XEXLGUJHVBJABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2/c1-18-10-16-21(17-11-18)31-27-25-9-5-3-7-23(25)22-6-2-4-8-24(22)26(27)30-28(31)19-12-14-20(29)15-13-19/h2-17H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole?
2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole has a molecular weight of 402.47 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylphenyl)phenanthro[9,10-d]imidazole is sourced from PubChem (CID 123281339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).