2-heptyl-1,10-phenanthroline

C19H22N2 — CID 150280165

IUPAC2-heptyl-1,10-phenanthroline
SMILESCCCCCCCc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C19H22N2/c1-2-3-4-5-6-9-17-13-12-16-11-10-15-8-7-14-20-18(15)19(16)21-17/h7-8,10-14H,2-6,9H2,1H3
InChIKeyGFKHJAFBKWVLIZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.30
Rot. Bonds6

About 2-heptyl-1,10-phenanthroline

2-heptyl-1,10-phenanthroline (PubChem CID 150280165) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-heptyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-heptyl-1,10-phenanthroline
PubChem CID150280165
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-heptyl-1,10-phenanthroline
SMILESCCCCCCCc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C19H22N2/c1-2-3-4-5-6-9-17-13-12-16-11-10-15-8-7-14-20-18(15)19(16)21-17/h7-8,10-14H,2-6,9H2,1H3
InChIKeyGFKHJAFBKWVLIZ-UHFFFAOYSA-N
XLogP5.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-heptyl-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

Related Compounds

2-pentyl-1,8-naphthyridine
CID 11481079
2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
CID 70116348
CID 58385596
CID 58385596
2-octylquinoline-8-sulfonamide
CID 67803387
4-hexyl-2-pyrimidin-2-ylpyrimidine
CID 67173308
2,6-didodecylpyridine
CID 90943274
2-[1-(1,10-phenanthrolin-2-yl)pentyl]-1,10-phenanthroline
CID 139174663
2-undecylpyridine
CID 66882765
2,6-dipentylpyridine
CID 58097448
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
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

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1,10-phenanthroline?
The IUPAC name of 2-heptyl-1,10-phenanthroline (CID 150280165) is 2-heptyl-1,10-phenanthroline.
What is the SMILES notation for 2-heptyl-1,10-phenanthroline?
The canonical SMILES for 2-heptyl-1,10-phenanthroline is CCCCCCCc1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 2-heptyl-1,10-phenanthroline?
The InChIKey is GFKHJAFBKWVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-3-4-5-6-9-17-13-12-16-11-10-15-8-7-14-20-18(15)19(16)21-17/h7-8,10-14H,2-6,9H2,1H3.
What are the key properties of 2-heptyl-1,10-phenanthroline?
2-heptyl-1,10-phenanthroline has a molecular weight of 278.40 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1,10-phenanthroline is sourced from PubChem (CID 150280165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).