4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole

C53H34N2O2 — CID 166737490

About 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole

4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 166737490) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 166737490
• Molecular Formula: C53H34N2O2
• Molecular Weight: 730.87 g/mol
• Exact Mass: 730.26
• IUPAC Name: 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: C1=Cc2c(oc3cc(-c4cc(-c5ccccc5)cc(-c5cccc6oc7ccc(-c8cccc9c8c8ccccc8n9-c8ccccc8)cc7c56)n4)ccc23)CC1
• InChI: InChI=1S/C53H34N2O2/c1-3-13-33(14-4-1)36-30-44(35-25-27-40-39-17-8-10-23-48(39)57-51(40)32-35)54-45(31-36)41-20-12-24-50-53(41)43-29-34(26-28-49(43)56-50)38-19-11-22-47-52(38)42-18-7-9-21-46(42)55(47)37-15-5-2-6-16-37/h1-9,11-22,24-32H,10,23H2
• InChIKey: MZHBOMALXNNNOW-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 44.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.87
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole?

The IUPAC name of 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 166737490) is 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole?

The canonical SMILES for 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole is C1=Cc2c(oc3cc(-c4cc(-c5ccccc5)cc(-c5cccc6oc7ccc(-c8cccc9c8c8ccccc8n9-c8ccccc8)cc7c56)n4)ccc23)CC1.

What is the InChIKey of 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole?

The InChIKey is MZHBOMALXNNNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-3-13-33(14-4-1)36-30-44(35-25-27-40-39-17-8-10-23-48(39)57-51(40)32-35)54-45(31-36)41-20-12-24-50-53(41)43-29-34(26-28-49(43)56-50)38-19-11-22-47-52(38)42-18-7-9-21-46(42)55(47)37-15-5-2-6-16-37/h1-9,11-22,24-32H,10,23H2.

What are the key properties of 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole?

4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 730.87 g/mol, XLogP of 14.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 166737490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).