3,8-dimethyl-1,10-phenanthroline

C28H24N4 — CID 159392628

IUPAC3,8-dimethyl-1,10-phenanthroline
SMILESCc1cnc2c(ccc3cc(C)cnc32)c1.Cc1cnc2c(ccc3cc(C)cnc32)c1
InChIInChI=1S/2C14H12N2/c2*1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9/h2*3-8H,1-2H3
InChIKeyLMHUCIQMEIAKLR-UHFFFAOYSA-N
MW416.53 g/mol
LogP6.80
Rot. Bonds

About 3,8-dimethyl-1,10-phenanthroline

3,8-dimethyl-1,10-phenanthroline (PubChem CID 159392628) has the molecular formula C28H24N4 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3,8-dimethyl-1,10-phenanthroline.

Molecular Properties

Compound Name3,8-dimethyl-1,10-phenanthroline
PubChem CID159392628
Molecular FormulaC28H24N4
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name3,8-dimethyl-1,10-phenanthroline
SMILESCc1cnc2c(ccc3cc(C)cnc32)c1.Cc1cnc2c(ccc3cc(C)cnc32)c1
InChIInChI=1S/2C14H12N2/c2*1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9/h2*3-8H,1-2H3
InChIKeyLMHUCIQMEIAKLR-UHFFFAOYSA-N
XLogP6.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3,8-dimethyl-1,10-phenanthroline?
The IUPAC name of 3,8-dimethyl-1,10-phenanthroline (CID 159392628) is 3,8-dimethyl-1,10-phenanthroline.
What is the SMILES notation for 3,8-dimethyl-1,10-phenanthroline?
The canonical SMILES for 3,8-dimethyl-1,10-phenanthroline is Cc1cnc2c(ccc3cc(C)cnc32)c1.Cc1cnc2c(ccc3cc(C)cnc32)c1.
What is the InChIKey of 3,8-dimethyl-1,10-phenanthroline?
The InChIKey is LMHUCIQMEIAKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2/c2*1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9/h2*3-8H,1-2H3.
What are the key properties of 3,8-dimethyl-1,10-phenanthroline?
3,8-dimethyl-1,10-phenanthroline has a molecular weight of 416.53 g/mol, XLogP of 6.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1,10-phenanthroline is sourced from PubChem (CID 159392628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).