2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline

C47H29N5 — CID 155364610

About 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline

2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline (PubChem CID 155364610) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
• PubChem CID: 155364610
• Molecular Formula: C47H29N5
• Molecular Weight: 663.78 g/mol
• Exact Mass: 663.24
• IUPAC Name: 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
• SMILES: c1ccc(-c2nc(-c3ccc4ccc5c(-c6ccccc6)nc(-c6ccc7ccccc7c6)nc5c4c3)nc(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C47H29N5/c1-3-14-33(15-4-1)42-40-27-26-32-23-25-37(29-41(32)43(40)49-45(48-42)36-24-22-30-12-7-8-18-35(30)28-36)46-50-44(34-16-5-2-6-17-34)51-47(52-46)39-21-11-19-31-13-9-10-20-38(31)39/h1-29H
• InChIKey: HAWDZPWGEINMBP-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.78
LogP ≤ 5	11.61
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 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline?

The IUPAC name of 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline (CID 155364610) is 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline.

What is the SMILES notation for 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline?

The canonical SMILES for 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline is c1ccc(-c2nc(-c3ccc4ccc5c(-c6ccccc6)nc(-c6ccc7ccccc7c6)nc5c4c3)nc(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline?

The InChIKey is HAWDZPWGEINMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-3-14-33(15-4-1)42-40-27-26-32-23-25-37(29-41(32)43(40)49-45(48-42)36-24-22-30-12-7-8-18-35(30)28-36)46-50-44(34-16-5-2-6-17-34)51-47(52-46)39-21-11-19-31-13-9-10-20-38(31)39/h1-29H.

What are the key properties of 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline?

2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline has a molecular weight of 663.78 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 155364610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).