2,4,9-trimethyl-1,10-phenanthroline

C15H14N2 — CID 86190831

IUPAC2,4,9-trimethyl-1,10-phenanthroline
SMILESCc1ccc2ccc3c(C)cc(C)nc3c2n1
InChIInChI=1S/C15H14N2/c1-9-8-11(3)17-15-13(9)7-6-12-5-4-10(2)16-14(12)15/h4-8H,1-3H3
InChIKeyDPPITTQLRYUZEJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.71
Rot. Bonds

About 2,4,9-trimethyl-1,10-phenanthroline

2,4,9-trimethyl-1,10-phenanthroline (PubChem CID 86190831) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,4,9-trimethyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,4,9-trimethyl-1,10-phenanthroline
PubChem CID86190831
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2,4,9-trimethyl-1,10-phenanthroline
SMILESCc1ccc2ccc3c(C)cc(C)nc3c2n1
InChIInChI=1S/C15H14N2/c1-9-8-11(3)17-15-13(9)7-6-12-5-4-10(2)16-14(12)15/h4-8H,1-3H3
InChIKeyDPPITTQLRYUZEJ-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.71
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 2,4,9-trimethyl-1,10-phenanthroline?
The IUPAC name of 2,4,9-trimethyl-1,10-phenanthroline (CID 86190831) is 2,4,9-trimethyl-1,10-phenanthroline.
What is the SMILES notation for 2,4,9-trimethyl-1,10-phenanthroline?
The canonical SMILES for 2,4,9-trimethyl-1,10-phenanthroline is Cc1ccc2ccc3c(C)cc(C)nc3c2n1.
What is the InChIKey of 2,4,9-trimethyl-1,10-phenanthroline?
The InChIKey is DPPITTQLRYUZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-9-8-11(3)17-15-13(9)7-6-12-5-4-10(2)16-14(12)15/h4-8H,1-3H3.
What are the key properties of 2,4,9-trimethyl-1,10-phenanthroline?
2,4,9-trimethyl-1,10-phenanthroline has a molecular weight of 222.29 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9-trimethyl-1,10-phenanthroline is sourced from PubChem (CID 86190831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).