2,4,7,9-tetramethyl-1,10-phenanthroline

C16H16N2 — CID 11317151

IUPAC2,4,7,9-tetramethyl-1,10-phenanthroline
SMILESCc1cc(C)c2ccc3c(C)cc(C)nc3c2n1
InChIInChI=1S/C16H16N2/c1-9-7-11(3)17-15-13(9)5-6-14-10(2)8-12(4)18-16(14)15/h5-8H,1-4H3
InChIKeyXLLDGHKSXHVKJV-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.02
Rot. Bonds

About 2,4,7,9-tetramethyl-1,10-phenanthroline

2,4,7,9-tetramethyl-1,10-phenanthroline (PubChem CID 11317151) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2,4,7,9-tetramethyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,4,7,9-tetramethyl-1,10-phenanthroline
PubChem CID11317151
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2,4,7,9-tetramethyl-1,10-phenanthroline
SMILESCc1cc(C)c2ccc3c(C)cc(C)nc3c2n1
InChIInChI=1S/C16H16N2/c1-9-7-11(3)17-15-13(9)5-6-14-10(2)8-12(4)18-16(14)15/h5-8H,1-4H3
InChIKeyXLLDGHKSXHVKJV-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.02
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 2,4,7,9-tetramethyl-1,10-phenanthroline?
The IUPAC name of 2,4,7,9-tetramethyl-1,10-phenanthroline (CID 11317151) is 2,4,7,9-tetramethyl-1,10-phenanthroline.
What is the SMILES notation for 2,4,7,9-tetramethyl-1,10-phenanthroline?
The canonical SMILES for 2,4,7,9-tetramethyl-1,10-phenanthroline is Cc1cc(C)c2ccc3c(C)cc(C)nc3c2n1.
What is the InChIKey of 2,4,7,9-tetramethyl-1,10-phenanthroline?
The InChIKey is XLLDGHKSXHVKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-9-7-11(3)17-15-13(9)5-6-14-10(2)8-12(4)18-16(14)15/h5-8H,1-4H3.
What are the key properties of 2,4,7,9-tetramethyl-1,10-phenanthroline?
2,4,7,9-tetramethyl-1,10-phenanthroline has a molecular weight of 236.32 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,9-tetramethyl-1,10-phenanthroline is sourced from PubChem (CID 11317151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).