2,9-dibutyl-1,7-phenanthroline

C20H24N2 — CID 66684752

IUPAC2,9-dibutyl-1,7-phenanthroline
SMILESCCCCc1cnc2ccc3ccc(CCCC)nc3c2c1
InChIInChI=1S/C20H24N2/c1-3-5-7-15-13-18-19(21-14-15)12-10-16-9-11-17(8-6-4-2)22-20(16)18/h9-14H,3-8H2,1-2H3
InChIKeyXLGYPMXXINBAIB-UHFFFAOYSA-N
MW292.43 g/mol
LogP5.47
Rot. Bonds6

About 2,9-dibutyl-1,7-phenanthroline

2,9-dibutyl-1,7-phenanthroline (PubChem CID 66684752) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2,9-dibutyl-1,7-phenanthroline.

Molecular Properties

Compound Name2,9-dibutyl-1,7-phenanthroline
PubChem CID66684752
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2,9-dibutyl-1,7-phenanthroline
SMILESCCCCc1cnc2ccc3ccc(CCCC)nc3c2c1
InChIInChI=1S/C20H24N2/c1-3-5-7-15-13-18-19(21-14-15)12-10-16-9-11-17(8-6-4-2)22-20(16)18/h9-14H,3-8H2,1-2H3
InChIKeyXLGYPMXXINBAIB-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.47
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,9-dibutyl-1,7-phenanthroline?
The IUPAC name of 2,9-dibutyl-1,7-phenanthroline (CID 66684752) is 2,9-dibutyl-1,7-phenanthroline.
What is the SMILES notation for 2,9-dibutyl-1,7-phenanthroline?
The canonical SMILES for 2,9-dibutyl-1,7-phenanthroline is CCCCc1cnc2ccc3ccc(CCCC)nc3c2c1.
What is the InChIKey of 2,9-dibutyl-1,7-phenanthroline?
The InChIKey is XLGYPMXXINBAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-5-7-15-13-18-19(21-14-15)12-10-16-9-11-17(8-6-4-2)22-20(16)18/h9-14H,3-8H2,1-2H3.
What are the key properties of 2,9-dibutyl-1,7-phenanthroline?
2,9-dibutyl-1,7-phenanthroline has a molecular weight of 292.43 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dibutyl-1,7-phenanthroline is sourced from PubChem (CID 66684752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).