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

C65H38N2O3 — CID 168768283

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

2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole (PubChem CID 168768283) has the molecular formula C65H38N2O3 and a molecular weight of 895.03 g/mol. Its IUPAC name is 2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
• PubChem CID: 168768283
• Molecular Formula: C65H38N2O3
• Molecular Weight: 895.03 g/mol
• Exact Mass: 894.29
• IUPAC Name: 2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3cccc4oc5ccc(-c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc7oc8ccccc8c67)cc5c34)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
• InChI: InChI=1S/C65H38N2O3/c1-3-14-39(15-4-1)54-34-44(35-55(66-54)42-27-30-50-49-19-8-11-23-58(49)69-62(50)37-42)46-21-13-25-61-64(46)53-32-41(28-31-60(53)68-61)52-33-43(38-63-65(52)51-20-9-12-24-59(51)70-63)40-26-29-48-47-18-7-10-22-56(47)67(57(48)36-40)45-16-5-2-6-17-45/h1-38H
• InChIKey: ZOMRNIIHDSJIMX-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 57.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.03
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole (CID 168768283) is 2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole.

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

The canonical SMILES for 2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3cccc4oc5ccc(-c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc7oc8ccccc8c67)cc5c34)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.

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

The InChIKey is ZOMRNIIHDSJIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N2O3/c1-3-14-39(15-4-1)54-34-44(35-55(66-54)42-27-30-50-49-19-8-11-23-58(49)69-62(50)37-42)46-21-13-25-61-64(46)53-32-41(28-31-60(53)68-61)52-33-43(38-63-65(52)51-20-9-12-24-59(51)70-63)40-26-29-48-47-18-7-10-22-56(47)67(57(48)36-40)45-16-5-2-6-17-45/h1-38H.

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

2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole has a molecular weight of 895.03 g/mol, XLogP of 18.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).