1-phenylimidazo[4,5-k][1,7]phenanthroline

C19H12N4 — CID 175490051

IUPAC1-phenylimidazo[4,5-k][1,7]phenanthroline
SMILESc1ccc(-n2cnc3cnc4ccc5cccnc5c4c32)cc1
InChIInChI=1S/C19H12N4/c1-2-6-14(7-3-1)23-12-22-16-11-21-15-9-8-13-5-4-10-20-18(13)17(15)19(16)23/h1-12H
InChIKeyBEOIUSSHDMPLOP-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.12
Rot. Bonds1

About 1-phenylimidazo[4,5-k][1,7]phenanthroline

1-phenylimidazo[4,5-k][1,7]phenanthroline (PubChem CID 175490051) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-phenylimidazo[4,5-k][1,7]phenanthroline.

Molecular Properties

Compound Name1-phenylimidazo[4,5-k][1,7]phenanthroline
PubChem CID175490051
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name1-phenylimidazo[4,5-k][1,7]phenanthroline
SMILESc1ccc(-n2cnc3cnc4ccc5cccnc5c4c32)cc1
InChIInChI=1S/C19H12N4/c1-2-6-14(7-3-1)23-12-22-16-11-21-15-9-8-13-5-4-10-20-18(13)17(15)19(16)23/h1-12H
InChIKeyBEOIUSSHDMPLOP-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylimidazo[4,5-k][1,7]phenanthroline?
The IUPAC name of 1-phenylimidazo[4,5-k][1,7]phenanthroline (CID 175490051) is 1-phenylimidazo[4,5-k][1,7]phenanthroline.
What is the SMILES notation for 1-phenylimidazo[4,5-k][1,7]phenanthroline?
The canonical SMILES for 1-phenylimidazo[4,5-k][1,7]phenanthroline is c1ccc(-n2cnc3cnc4ccc5cccnc5c4c32)cc1.
What is the InChIKey of 1-phenylimidazo[4,5-k][1,7]phenanthroline?
The InChIKey is BEOIUSSHDMPLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c1-2-6-14(7-3-1)23-12-22-16-11-21-15-9-8-13-5-4-10-20-18(13)17(15)19(16)23/h1-12H.
What are the key properties of 1-phenylimidazo[4,5-k][1,7]phenanthroline?
1-phenylimidazo[4,5-k][1,7]phenanthroline has a molecular weight of 296.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylimidazo[4,5-k][1,7]phenanthroline is sourced from PubChem (CID 175490051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).