9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

C51H32N4O2 — CID 163833771

About 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 163833771) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 163833771
• Molecular Formula: C51H32N4O2
• Molecular Weight: 732.84 g/mol
• Exact Mass: 732.25
• IUPAC Name: 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
• SMILES: C1=CC2c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3OC2c2c1n(-c1ccccc1)c1ccccc21
• InChI: InChI=1S/C51H32N4O2/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)49-52-50(54-51(53-49)39-18-11-21-45-46(39)38-17-8-10-20-43(38)56-45)34-26-29-44-40(30-34)36-27-28-42-47(48(36)57-44)37-16-7-9-19-41(37)55(42)35-14-5-2-6-15-35/h1-30,36,48H
• InChIKey: LUPJTPKHSASRIK-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 65.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.84
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 163833771) is 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3OC2c2c1n(-c1ccccc1)c1ccccc21.

What is the InChIKey of 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

The InChIKey is LUPJTPKHSASRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)49-52-50(54-51(53-49)39-18-11-21-45-46(39)38-17-8-10-20-43(38)56-45)34-26-29-44-40(30-34)36-27-28-42-47(48(36)57-44)37-16-7-9-19-41(37)55(42)35-14-5-2-6-15-35/h1-30,36,48H.

What are the key properties of 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?

9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 732.84 g/mol, XLogP of 12.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163833771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).