2-(4-butyl-2-pyridinyl)-1,10-phenanthroline

C21H19N3 — CID 160519522

IUPAC2-(4-butyl-2-pyridinyl)-1,10-phenanthroline
SMILESCCCCc1ccnc(-c2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C21H19N3/c1-2-3-5-15-11-13-22-19(14-15)18-10-9-17-8-7-16-6-4-12-23-20(16)21(17)24-18/h4,6-14H,2-3,5H2,1H3
InChIKeyQUCANHSMSUWZEP-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.19
Rot. Bonds4

About 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline

2-(4-butyl-2-pyridinyl)-1,10-phenanthroline (PubChem CID 160519522) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-butyl-2-pyridinyl)-1,10-phenanthroline
PubChem CID160519522
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name2-(4-butyl-2-pyridinyl)-1,10-phenanthroline
SMILESCCCCc1ccnc(-c2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C21H19N3/c1-2-3-5-15-11-13-22-19(14-15)18-10-9-17-8-7-16-6-4-12-23-20(16)21(17)24-18/h4,6-14H,2-3,5H2,1H3
InChIKeyQUCANHSMSUWZEP-UHFFFAOYSA-N
XLogP5.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]-2-pyridinyl]-1,10-phenanthroline
CID 158270665
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
2-[3,4-dibutyl-5-[5-[3,4-dibutyl-5-(1,10-phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,10-phenanthroline
CID 11520712
2-heptyl-1,10-phenanthroline
CID 150280165
2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline
CID 139174663
6-butylquinolin-8-ol
CID 130033187
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium
CID 155747317

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline?
The IUPAC name of 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline (CID 160519522) is 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline?
The canonical SMILES for 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline is CCCCc1ccnc(-c2ccc3ccc4cccnc4c3n2)c1.
What is the InChIKey of 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline?
The InChIKey is QUCANHSMSUWZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-2-3-5-15-11-13-22-19(14-15)18-10-9-17-8-7-16-6-4-12-23-20(16)21(17)24-18/h4,6-14H,2-3,5H2,1H3.
What are the key properties of 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline?
2-(4-butyl-2-pyridinyl)-1,10-phenanthroline has a molecular weight of 313.40 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2-pyridinyl)-1,10-phenanthroline is sourced from PubChem (CID 160519522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).