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

C19H12N4 — CID 12058770

IUPAC2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C19H12N4/c1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16/h1-11H,(H,22,23)
InChIKeyOUDYQQMSEXVROM-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.33
Rot. Bonds1

About 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline

2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 12058770) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID12058770
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C19H12N4/c1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16/h1-11H,(H,22,23)
InChIKeyOUDYQQMSEXVROM-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.33
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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline (CID 12058770) is 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline is c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is OUDYQQMSEXVROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16/h1-11H,(H,22,23).
What are the key properties of 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline?
2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 296.33 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 12058770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).