1-(2,5-dimethylphenyl)-2,9-phenanthroline

C20H16N2 — CID 67025184

IUPAC1-(2,5-dimethylphenyl)-2,9-phenanthroline
SMILESCc1ccc(C)c(-c2nccc3ccc4ccncc4c23)c1
InChIInChI=1S/C20H16N2/c1-13-3-4-14(2)17(11-13)20-19-16(8-10-22-20)6-5-15-7-9-21-12-18(15)19/h3-12H,1-2H3
InChIKeyJYXWZWBLVIOWOK-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.07
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-2,9-phenanthroline

1-(2,5-dimethylphenyl)-2,9-phenanthroline (PubChem CID 67025184) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,9-phenanthroline.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,9-phenanthroline
PubChem CID67025184
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name1-(2,5-dimethylphenyl)-2,9-phenanthroline
SMILESCc1ccc(C)c(-c2nccc3ccc4ccncc4c23)c1
InChIInChI=1S/C20H16N2/c1-13-3-4-14(2)17(11-13)20-19-16(8-10-22-20)6-5-15-7-9-21-12-18(15)19/h3-12H,1-2H3
InChIKeyJYXWZWBLVIOWOK-UHFFFAOYSA-N
XLogP5.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.07
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 1-(2,5-dimethylphenyl)-2,9-phenanthroline?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,9-phenanthroline (CID 67025184) is 1-(2,5-dimethylphenyl)-2,9-phenanthroline.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,9-phenanthroline?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,9-phenanthroline is Cc1ccc(C)c(-c2nccc3ccc4ccncc4c23)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,9-phenanthroline?
The InChIKey is JYXWZWBLVIOWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-13-3-4-14(2)17(11-13)20-19-16(8-10-22-20)6-5-15-7-9-21-12-18(15)19/h3-12H,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2,9-phenanthroline?
1-(2,5-dimethylphenyl)-2,9-phenanthroline has a molecular weight of 284.36 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2,9-phenanthroline is sourced from PubChem (CID 67025184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).