12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

C51H28N4O3 — CID 163423429

About 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 163423429) has the molecular formula C51H28N4O3 and a molecular weight of 744.81 g/mol. Its IUPAC name is 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 163423429
• Molecular Formula: C51H28N4O3
• Molecular Weight: 744.81 g/mol
• Exact Mass: 744.22
• IUPAC Name: 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc3oc4cc(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)n5)ccc4c23)cc1
• InChI: InChI=1S/C51H28N4O3/c1-2-11-29(12-3-1)32-16-10-20-43-46(32)39-24-22-31(28-45(39)57-43)50-52-49(30-21-23-36-34-14-5-8-18-41(34)56-44(36)27-30)53-51(54-50)55-40-17-7-4-13-33(40)37-25-26-38-35-15-6-9-19-42(35)58-48(38)47(37)55/h1-28H
• InChIKey: AKLLJUIFBWXLAD-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 83.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.81
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?

The IUPAC name of 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (CID 163423429) is 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.

What is the SMILES notation for 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?

The canonical SMILES for 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cccc3oc4cc(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)n5)ccc4c23)cc1.

What is the InChIKey of 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?

The InChIKey is AKLLJUIFBWXLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4O3/c1-2-11-29(12-3-1)32-16-10-20-43-46(32)39-24-22-31(28-45(39)57-43)50-52-49(30-21-23-36-34-14-5-8-18-41(34)56-44(36)27-30)53-51(54-50)55-40-17-7-4-13-33(40)37-25-26-38-35-15-6-9-19-42(35)58-48(38)47(37)55/h1-28H.

What are the key properties of 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?

12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 744.81 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163423429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).