2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline

C51H32N6 — CID 146581211

About 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline

2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline (PubChem CID 146581211) has the molecular formula C51H32N6 and a molecular weight of 728.86 g/mol. Its IUPAC name is 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline
• PubChem CID: 146581211
• Molecular Formula: C51H32N6
• Molecular Weight: 728.86 g/mol
• Exact Mass: 728.27
• IUPAC Name: 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline
• SMILES: c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5nc6c7ncccc7nc(-c7ccccc7)c6n5-c5ccccc5)cc4)nc23)cc1
• InChI: InChI=1S/C51H32N6/c1-5-14-33(15-6-1)39-29-31-53-46-40(39)27-28-41-42(34-16-7-2-8-17-34)32-44(55-47(41)46)35-23-25-37(26-24-35)51-56-49-48-43(22-13-30-52-48)54-45(36-18-9-3-10-19-36)50(49)57(51)38-20-11-4-12-21-38/h1-32H
• InChIKey: AJHNCVPBRFWYLR-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.86
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline?

The IUPAC name of 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline (CID 146581211) is 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline.

What is the SMILES notation for 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline?

The canonical SMILES for 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline is c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5nc6c7ncccc7nc(-c7ccccc7)c6n5-c5ccccc5)cc4)nc23)cc1.

What is the InChIKey of 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline?

The InChIKey is AJHNCVPBRFWYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6/c1-5-14-33(15-6-1)39-29-31-53-46-40(39)27-28-41-42(34-16-7-2-8-17-34)32-44(55-47(41)46)35-23-25-37(26-24-35)51-56-49-48-43(22-13-30-52-48)54-45(36-18-9-3-10-19-36)50(49)57(51)38-20-11-4-12-21-38/h1-32H.

What are the key properties of 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline?

2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline has a molecular weight of 728.86 g/mol, XLogP of 12.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 146581211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).