10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine

C45H29N5 — CID 146549133

About 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine

10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine (PubChem CID 146549133) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine.

Molecular Properties

• Compound Name: 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine
• PubChem CID: 146549133
• Molecular Formula: C45H29N5
• Molecular Weight: 639.76 g/mol
• Exact Mass: 639.24
• IUPAC Name: 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c(-c7ccncc7)nc7ccccc7c56)cc4)cc3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C45H29N5/c1-2-11-39-37(8-1)44-36(9-7-10-38(44)45(50-39)34-22-26-46-27-23-34)33-20-18-31(19-21-33)30-14-16-32(17-15-30)35-28-42(40-12-3-5-24-47-40)49-43(29-35)41-13-4-6-25-48-41/h1-29H
• InChIKey: WMXMUSOJAUMBNN-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.76
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine?

The IUPAC name of 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine (CID 146549133) is 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine.

What is the SMILES notation for 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine?

The canonical SMILES for 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c(-c7ccncc7)nc7ccccc7c56)cc4)cc3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine?

The InChIKey is WMXMUSOJAUMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-2-11-39-37(8-1)44-36(9-7-10-38(44)45(50-39)34-22-26-46-27-23-34)33-20-18-31(19-21-33)30-14-16-32(17-15-30)35-28-42(40-12-3-5-24-47-40)49-43(29-35)41-13-4-6-25-48-41/h1-29H.

What are the key properties of 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine?

10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine has a molecular weight of 639.76 g/mol, XLogP of 10.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine is sourced from PubChem (CID 146549133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).