2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline

C42H26N4 — CID 146550015

About 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline

2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline (PubChem CID 146550015) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline
• PubChem CID: 146550015
• Molecular Formula: C42H26N4
• Molecular Weight: 586.70 g/mol
• Exact Mass: 586.22
• IUPAC Name: 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7cccnc7)c7cccc(-c8ccccc8)c7c6c5)nc4c3n2)cc1
• InChI: InChI=1S/C42H26N4/c1-3-9-27(10-4-1)33-14-7-15-34-39(33)35-25-31(20-23-38(35)46-40(34)32-13-8-24-43-26-32)37-22-19-30-17-16-29-18-21-36(28-11-5-2-6-12-28)44-41(29)42(30)45-37/h1-26H
• InChIKey: SKLDDGVQLLZOJL-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.70
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline?

The IUPAC name of 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline (CID 146550015) is 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline.

What is the SMILES notation for 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline?

The canonical SMILES for 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7cccnc7)c7cccc(-c8ccccc8)c7c6c5)nc4c3n2)cc1.

What is the InChIKey of 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline?

The InChIKey is SKLDDGVQLLZOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-3-9-27(10-4-1)33-14-7-15-34-39(33)35-25-31(20-23-38(35)46-40(34)32-13-8-24-43-26-32)37-22-19-30-17-16-29-18-21-36(28-11-5-2-6-12-28)44-41(29)42(30)45-37/h1-26H.

What are the key properties of 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline?

2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline has a molecular weight of 586.70 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 146550015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).