2,9-di(butan-2-yl)-1,10-phenanthroline

C20H24N2 — CID 14962425

IUPAC2,9-di(butan-2-yl)-1,10-phenanthroline
SMILESCCC(C)c1ccc2ccc3ccc(C(C)CC)nc3c2n1
InChIInChI=1S/C20H24N2/c1-5-13(3)17-11-9-15-7-8-16-10-12-18(14(4)6-2)22-20(16)19(15)21-17/h7-14H,5-6H2,1-4H3
InChIKeyFBFAIIGVOINRNT-UHFFFAOYSA-N
MW292.43 g/mol
LogP5.81
Rot. Bonds4

About 2,9-di(butan-2-yl)-1,10-phenanthroline

2,9-di(butan-2-yl)-1,10-phenanthroline (PubChem CID 14962425) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2,9-di(butan-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-di(butan-2-yl)-1,10-phenanthroline
PubChem CID14962425
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2,9-di(butan-2-yl)-1,10-phenanthroline
SMILESCCC(C)c1ccc2ccc3ccc(C(C)CC)nc3c2n1
InChIInChI=1S/C20H24N2/c1-5-13(3)17-11-9-15-7-8-16-10-12-18(14(4)6-2)22-20(16)19(15)21-17/h7-14H,5-6H2,1-4H3
InChIKeyFBFAIIGVOINRNT-UHFFFAOYSA-N
XLogP5.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,9-di(butan-2-yl)-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,9-di(butan-2-yl)-1,10-phenanthroline?
The IUPAC name of 2,9-di(butan-2-yl)-1,10-phenanthroline (CID 14962425) is 2,9-di(butan-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-di(butan-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2,9-di(butan-2-yl)-1,10-phenanthroline is CCC(C)c1ccc2ccc3ccc(C(C)CC)nc3c2n1.
What is the InChIKey of 2,9-di(butan-2-yl)-1,10-phenanthroline?
The InChIKey is FBFAIIGVOINRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-5-13(3)17-11-9-15-7-8-16-10-12-18(14(4)6-2)22-20(16)19(15)21-17/h7-14H,5-6H2,1-4H3.
What are the key properties of 2,9-di(butan-2-yl)-1,10-phenanthroline?
2,9-di(butan-2-yl)-1,10-phenanthroline has a molecular weight of 292.43 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-di(butan-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 14962425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).