3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole

C51H32N4O2 — CID 166953173

About 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole

3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole (PubChem CID 166953173) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole.

Molecular Properties

• Compound Name: 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
• PubChem CID: 166953173
• Molecular Formula: C51H32N4O2
• Molecular Weight: 732.84 g/mol
• Exact Mass: 732.25
• IUPAC Name: 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
• SMILES: C1=CC(c2ccc3c(c2)oc2ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc23)Cc2c1n(-c1ccccc1)c1ccccc21
• InChI: InChI=1S/C51H32N4O2/c1-3-12-31(13-4-1)49-52-50(54-51(53-49)40-19-11-18-39-37-17-8-10-21-45(37)57-48(39)40)34-24-27-46-42(29-34)38-25-22-33(30-47(38)56-46)32-23-26-44-41(28-32)36-16-7-9-20-43(36)55(44)35-14-5-2-6-15-35/h1-27,29-30,32H,28H2
• InChIKey: GADFTEUIRYQXKR-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 69.88 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	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole?

The IUPAC name of 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole (CID 166953173) is 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole.

What is the SMILES notation for 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole?

The canonical SMILES for 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole is C1=CC(c2ccc3c(c2)oc2ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc23)Cc2c1n(-c1ccccc1)c1ccccc21.

What is the InChIKey of 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole?

The InChIKey is GADFTEUIRYQXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-3-12-31(13-4-1)49-52-50(54-51(53-49)40-19-11-18-39-37-17-8-10-21-45(37)57-48(39)40)34-24-27-46-42(29-34)38-25-22-33(30-47(38)56-46)32-23-26-44-41(28-32)36-16-7-9-20-43(36)55(44)35-14-5-2-6-15-35/h1-27,29-30,32H,28H2.

What are the key properties of 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole?

3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole has a molecular weight of 732.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole is sourced from PubChem (CID 166953173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).