8H-imidazo[4,5-f][1,10]phenanthroline

C13H8N4 — CID 135894299

IUPAC8H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1ncnc1c1ccc[nH]c12
InChIInChI=1S/C13H8N4/c1-3-8-10(14-5-1)11-9(4-2-6-15-11)13-12(8)16-7-17-13/h1-7,14H
InChIKeyQMXBFHATIGMMHA-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.66
Rot. Bonds

About 8H-imidazo[4,5-f][1,10]phenanthroline

8H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 135894299) has the molecular formula C13H8N4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 8H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name8H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID135894299
Molecular FormulaC13H8N4
Molecular Weight220.24 g/mol
Exact Mass220.07
IUPAC Name8H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1ncnc1c1ccc[nH]c12
InChIInChI=1S/C13H8N4/c1-3-8-10(14-5-1)11-9(4-2-6-15-11)13-12(8)16-7-17-13/h1-7,14H
InChIKeyQMXBFHATIGMMHA-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazo[4,5-f]quinoline
CID 164569
1h-Imidazo[4,5-g]quinoline
CID 135437277
9-methyl-1H-indolo[2,3-b][1,5]naphthyridine
CID 135533977
7H-pyrrolo[3,2-f]quinoxaline
CID 135788037
3H-imidazo[4,5-f]quinoxaline
CID 136080001
3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-
CID 135530303
8H-pyrrolo[3,4-f][1,10]phenanthroline
CID 135415051
Pyrrolo[3,4-f]quinoline
CID 135463236
Pyrimidoindole
CID 136405576
Pyrimidoisoindole
CID 136416477
Pyrazinopyridoindole
CID 137213827
4,5-Dihydropyrroloquinoxaline
CID 138756856

Frequently Asked Questions

What is the IUPAC name of 8H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 8H-imidazo[4,5-f][1,10]phenanthroline (CID 135894299) is 8H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 8H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 8H-imidazo[4,5-f][1,10]phenanthroline is c1cnc2c(c1)c1ncnc1c1ccc[nH]c12.
What is the InChIKey of 8H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is QMXBFHATIGMMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4/c1-3-8-10(14-5-1)11-9(4-2-6-15-11)13-12(8)16-7-17-13/h1-7,14H.
What are the key properties of 8H-imidazo[4,5-f][1,10]phenanthroline?
8H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 220.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 135894299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).