2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine

C55H35N3O — CID 146183589

About 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine

2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine (PubChem CID 146183589) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
• PubChem CID: 146183589
• Molecular Formula: C55H35N3O
• Molecular Weight: 753.91 g/mol
• Exact Mass: 753.28
• IUPAC Name: 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)cc4)nc(-c4cc5ccccc5o4)n3)c2)cc1
• InChI: InChI=1S/C55H35N3O/c1-3-16-36(17-4-1)40-21-15-22-42(34-40)54-56-53(57-55(58-54)50-35-41-20-7-14-29-49(41)59-50)39-32-30-38(31-33-39)51-45-25-10-12-27-47(45)52(48-28-13-11-26-46(48)51)44-24-9-8-23-43(44)37-18-5-2-6-19-37/h1-35H
• InChIKey: OAKKKSZGNIHJBS-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.91
LogP ≤ 5	14.59
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-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine (CID 146183589) is 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)cc4)nc(-c4cc5ccccc5o4)n3)c2)cc1.

What is the InChIKey of 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine?

The InChIKey is OAKKKSZGNIHJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-3-16-36(17-4-1)40-21-15-22-42(34-40)54-56-53(57-55(58-54)50-35-41-20-7-14-29-49(41)59-50)39-32-30-38(31-33-39)51-45-25-10-12-27-47(45)52(48-28-13-11-26-46(48)51)44-24-9-8-23-43(44)37-18-5-2-6-19-37/h1-35H.

What are the key properties of 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine?

2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine has a molecular weight of 753.91 g/mol, XLogP of 14.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 146183589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).