3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole

C41H26N6 — CID 126500675

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole (PubChem CID 126500675) has the molecular formula C41H26N6 and a molecular weight of 602.70 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole.

Molecular Properties

• Compound Name: 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole
• PubChem CID: 126500675
• Molecular Formula: C41H26N6
• Molecular Weight: 602.70 g/mol
• Exact Mass: 602.22
• IUPAC Name: 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c(-c5ccccn5)nc5c6ccccc6c6ccccc6c54)c3)n2)cc1
• InChI: InChI=1S/C41H26N6/c1-3-14-27(15-4-1)38-44-39(28-16-5-2-6-17-28)46-40(45-38)29-18-13-19-30(26-29)47-37-34-23-10-8-21-32(34)31-20-7-9-22-33(31)36(37)43-41(47)35-24-11-12-25-42-35/h1-26H
• InChIKey: ONTZPEMRXDWKTO-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.70
LogP ≤ 5	9.58
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 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole?

The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole (CID 126500675) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole.

What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole?

The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c(-c5ccccn5)nc5c6ccccc6c6ccccc6c54)c3)n2)cc1.

What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole?

The InChIKey is ONTZPEMRXDWKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N6/c1-3-14-27(15-4-1)38-44-39(28-16-5-2-6-17-28)46-40(45-38)29-18-13-19-30(26-29)47-37-34-23-10-8-21-32(34)31-20-7-9-22-33(31)36(37)43-41(47)35-24-11-12-25-42-35/h1-26H.

What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole?

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole has a molecular weight of 602.70 g/mol, XLogP of 9.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 126500675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).