2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine

C64H46N2O3 — CID 140824254

About 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine

2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine (PubChem CID 140824254) has the molecular formula C64H46N2O3 and a molecular weight of 891.08 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine
• PubChem CID: 140824254
• Molecular Formula: C64H46N2O3
• Molecular Weight: 891.08 g/mol
• Exact Mass: 890.35
• IUPAC Name: 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)C(c2cccc(-c4cccc5c4oc4ccccc45)n2)(c2cccc(-c4cccc5c4oc4ccccc45)n2)c2cc(-c4c(C)cccc4C)ccc2O3)c(C)c1
• InChI: InChI=1S/C64H46N2O3/c1-37-33-40(4)61(41(5)34-37)43-30-32-57-51(36-43)64(50-35-42(29-31-56(50)67-57)60-38(2)15-10-16-39(60)3,58-27-13-23-52(65-58)48-21-11-19-46-44-17-6-8-25-54(44)68-62(46)48)59-28-14-24-53(66-59)49-22-12-20-47-45-18-7-9-26-55(45)69-63(47)49/h6-36H,1-5H3
• InChIKey: JOURIWZJTSPHQR-UHFFFAOYSA-N
• XLogP: 16.97
• TPSA: 61.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.08
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine?

The IUPAC name of 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine (CID 140824254) is 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine.

What is the SMILES notation for 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine?

The canonical SMILES for 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine is Cc1cc(C)c(-c2ccc3c(c2)C(c2cccc(-c4cccc5c4oc4ccccc45)n2)(c2cccc(-c4cccc5c4oc4ccccc45)n2)c2cc(-c4c(C)cccc4C)ccc2O3)c(C)c1.

What is the InChIKey of 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine?

The InChIKey is JOURIWZJTSPHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2O3/c1-37-33-40(4)61(41(5)34-37)43-30-32-57-51(36-43)64(50-35-42(29-31-56(50)67-57)60-38(2)15-10-16-39(60)3,58-27-13-23-52(65-58)48-21-11-19-46-44-17-6-8-25-54(44)68-62(46)48)59-28-14-24-53(66-59)49-22-12-20-47-45-18-7-9-26-55(45)69-63(47)49/h6-36H,1-5H3.

What are the key properties of 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine?

2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine has a molecular weight of 891.08 g/mol, XLogP of 16.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-6-[9-(6-dibenzofuran-4-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-7-(2,4,6-trimethylphenyl)xanthen-9-yl]pyridine is sourced from PubChem (CID 140824254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).