2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole

C64H37N3O3 — CID 168768109

About 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole

2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole (PubChem CID 168768109) has the molecular formula C64H37N3O3 and a molecular weight of 896.02 g/mol. Its IUPAC name is 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
• PubChem CID: 168768109
• Molecular Formula: C64H37N3O3
• Molecular Weight: 896.02 g/mol
• Exact Mass: 895.28
• IUPAC Name: 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4oc5ccc(-c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc7oc8ccccc8c67)cc5c34)n2)cc1
• InChI: InChI=1S/C64H37N3O3/c1-3-14-38(15-4-1)64-65-52(41-27-30-47-46-19-8-11-23-56(46)69-60(47)35-41)37-53(66-64)48-21-13-25-59-62(48)51-32-40(28-31-58(51)68-59)50-33-42(36-61-63(50)49-20-9-12-24-57(49)70-61)39-26-29-45-44-18-7-10-22-54(44)67(55(45)34-39)43-16-5-2-6-17-43/h1-37H
• InChIKey: BNSVJDSNMFOQBT-UHFFFAOYSA-N
• XLogP: 17.61
• TPSA: 70.13 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.02
LogP ≤ 5	17.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole?

The IUPAC name of 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole (CID 168768109) is 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4oc5ccc(-c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc7oc8ccccc8c67)cc5c34)n2)cc1.

What is the InChIKey of 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole?

The InChIKey is BNSVJDSNMFOQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N3O3/c1-3-14-38(15-4-1)64-65-52(41-27-30-47-46-19-8-11-23-56(46)69-60(47)35-41)37-53(66-64)48-21-13-25-59-62(48)51-32-40(28-31-58(51)68-59)50-33-42(36-61-63(50)49-20-9-12-24-57(49)70-61)39-26-29-45-44-18-7-10-22-54(44)67(55(45)34-39)43-16-5-2-6-17-43/h1-37H.

What are the key properties of 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole?

2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole has a molecular weight of 896.02 g/mol, XLogP of 17.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).