5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline

C48H30N4 — CID 174287897

About 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline

5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline (PubChem CID 174287897) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline.

Molecular Properties

• Compound Name: 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline
• PubChem CID: 174287897
• Molecular Formula: C48H30N4
• Molecular Weight: 662.80 g/mol
• Exact Mass: 662.25
• IUPAC Name: 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc7ccccc7c7ccc8cccnc8c67)c5)n4)ccc3c2)cc1
• InChI: InChI=1S/C48H30N4/c1-3-11-31(12-4-1)34-20-21-36-28-40(23-22-35(36)27-34)48-51-46(33-13-5-2-6-14-33)50-47(52-48)39-17-9-16-37(29-39)43-30-38-15-7-8-19-41(38)42-25-24-32-18-10-26-49-45(32)44(42)43/h1-30H
• InChIKey: XLRHVJJQUSMHJU-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.80
LogP ≤ 5	12.21
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 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline?

The IUPAC name of 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline (CID 174287897) is 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline.

What is the SMILES notation for 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline?

The canonical SMILES for 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc7ccccc7c7ccc8cccnc8c67)c5)n4)ccc3c2)cc1.

What is the InChIKey of 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline?

The InChIKey is XLRHVJJQUSMHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-11-31(12-4-1)34-20-21-36-28-40(23-22-35(36)27-34)48-51-46(33-13-5-2-6-14-33)50-47(52-48)39-17-9-16-37(29-39)43-30-38-15-7-8-19-41(38)42-25-24-32-18-10-26-49-45(32)44(42)43/h1-30H.

What are the key properties of 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline?

5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline has a molecular weight of 662.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline is sourced from PubChem (CID 174287897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).