2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine

C43H28N5- — CID 163612011

About 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine

2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 163612011) has the molecular formula C43H28N5- and a molecular weight of 614.73 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine
• PubChem CID: 163612011
• Molecular Formula: C43H28N5-
• Molecular Weight: 614.73 g/mol
• Exact Mass: 614.24
• IUPAC Name: 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine
• SMILES: C1=C[N-]C(c2nc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)nc(-c3ccccn3)n2)C=C1
• InChI: InChI=1S/C43H28N5/c1-2-12-31-27-32(24-19-28(31)11-1)40-35-15-5-3-13-33(35)39(34-14-4-6-16-36(34)40)29-20-22-30(23-21-29)41-46-42(37-17-7-9-25-44-37)48-43(47-41)38-18-8-10-26-45-38/h1-27,37H/q-1
• InChIKey: HGSXAJIFBJEWRV-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 65.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.73
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine?

The IUPAC name of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine (CID 163612011) is 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine?

The canonical SMILES for 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine is C1=C[N-]C(c2nc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)nc(-c3ccccn3)n2)C=C1.

What is the InChIKey of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine?

The InChIKey is HGSXAJIFBJEWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N5/c1-2-12-31-27-32(24-19-28(31)11-1)40-35-15-5-3-13-33(35)39(34-14-4-6-16-36(34)40)29-20-22-30(23-21-29)41-46-42(37-17-7-9-25-44-37)48-43(47-41)38-18-8-10-26-45-38/h1-27,37H/q-1.

What are the key properties of 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine?

2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 614.73 g/mol, XLogP of 10.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(2H-pyridin-1-id-2-yl)-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 163612011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).