2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine

C56H41N3 — CID 156577191

About 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine

2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine (PubChem CID 156577191) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine
• PubChem CID: 156577191
• Molecular Formula: C56H41N3
• Molecular Weight: 755.97 g/mol
• Exact Mass: 755.33
• IUPAC Name: 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)C4C6)c4ccccc34)n2)cc1
• InChI: InChI=1S/C56H41N3/c1-3-15-35(16-4-1)40-19-7-12-25-47(40)54-57-53(36-17-5-2-6-18-36)58-55(59-54)52-45-23-10-8-21-43(45)51(44-22-9-11-24-46(44)52)37-27-28-42-41-20-13-14-26-48(41)56(50(42)33-37)39-30-34-29-38(32-39)49(56)31-34/h1-28,33-34,38-39,49H,29-32H2
• InChIKey: QQYQTVFYVDYEPM-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.97
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine (CID 156577191) is 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine.

What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine?

The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)C4C6)c4ccccc34)n2)cc1.

What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine?

The InChIKey is QQYQTVFYVDYEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3/c1-3-15-35(16-4-1)40-19-7-12-25-47(40)54-57-53(36-17-5-2-6-18-36)58-55(59-54)52-45-23-10-8-21-43(45)51(44-22-9-11-24-46(44)52)37-27-28-42-41-20-13-14-26-48(41)56(50(42)33-37)39-30-34-29-38(32-39)49(56)31-34/h1-28,33-34,38-39,49H,29-32H2.

What are the key properties of 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine?

2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine has a molecular weight of 755.97 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine is sourced from PubChem (CID 156577191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).