8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline

C34H22N4 — CID 147512897

About 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline

8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline (PubChem CID 147512897) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline.

Molecular Properties

• Compound Name: 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline
• PubChem CID: 147512897
• Molecular Formula: C34H22N4
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.18
• IUPAC Name: 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6ccncc65)c4)n3)cc2)cc1
• InChI: InChI=1S/C34H22N4/c1-3-7-23(8-4-1)24-11-14-27(15-12-24)33-36-32(26-9-5-2-6-10-26)37-34(38-33)29-17-18-30-28(21-29)16-13-25-19-20-35-22-31(25)30/h1-22H
• InChIKey: FJQMGLOZOCSXFH-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	8.24
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 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline?

The IUPAC name of 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline (CID 147512897) is 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline.

What is the SMILES notation for 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline?

The canonical SMILES for 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6ccncc65)c4)n3)cc2)cc1.

What is the InChIKey of 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline?

The InChIKey is FJQMGLOZOCSXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-7-23(8-4-1)24-11-14-27(15-12-24)33-36-32(26-9-5-2-6-10-26)37-34(38-33)29-17-18-30-28(21-29)16-13-25-19-20-35-22-31(25)30/h1-22H.

What are the key properties of 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline?

8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline has a molecular weight of 486.58 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline is sourced from PubChem (CID 147512897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).