11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole

C57H36N4O — CID 163883383

About 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole

11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 163883383) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
• PubChem CID: 163883383
• Molecular Formula: C57H36N4O
• Molecular Weight: 792.94 g/mol
• Exact Mass: 792.29
• IUPAC Name: 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5c4oc4cc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6cc45)n3)cc2)cc1
• InChI: InChI=1S/C57H36N4O/c1-4-15-37(16-5-1)40-29-31-41(32-30-40)55-58-56(44-23-12-21-42(33-44)38-17-6-2-7-18-38)60-57(59-55)48-27-14-26-47-50-35-52-49(36-53(50)62-54(47)48)46-25-10-11-28-51(46)61(52)45-24-13-22-43(34-45)39-19-8-3-9-20-39/h1-36H
• InChIKey: CTDSWPHJQGSWIJ-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.94
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole?

The IUPAC name of 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole (CID 163883383) is 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole.

What is the SMILES notation for 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole?

The canonical SMILES for 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5c4oc4cc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6cc45)n3)cc2)cc1.

What is the InChIKey of 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole?

The InChIKey is CTDSWPHJQGSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-15-37(16-5-1)40-29-31-41(32-30-40)55-58-56(44-23-12-21-42(33-44)38-17-6-2-7-18-38)60-57(59-55)48-27-14-26-47-50-35-52-49(36-53(50)62-54(47)48)46-25-10-11-28-51(46)61(52)45-24-13-22-43(34-45)39-19-8-3-9-20-39/h1-36H.

What are the key properties of 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole?

11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163883383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).