2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine

C61H39N5O3 — CID 154950833

About 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 154950833) has the molecular formula C61H39N5O3 and a molecular weight of 890.02 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 154950833
• Molecular Formula: C61H39N5O3
• Molecular Weight: 890.02 g/mol
• Exact Mass: 889.31
• IUPAC Name: 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C1=CC2Oc3c(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)cc5)cc4)ccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3OC2C=C1
• InChI: InChI=1S/C61H39N5O3/c1-2-11-41(12-3-1)59-64-60(66-61(65-59)52-17-8-16-51-50-15-4-5-18-53(50)67-56(51)52)42-27-23-39(24-28-42)38-21-25-40(26-22-38)48-29-30-49(58-57(48)68-54-19-6-7-20-55(54)69-58)47-34-45(43-13-9-31-62-36-43)33-46(35-47)44-14-10-32-63-37-44/h1-37,54-55H
• InChIKey: PXPPUMXBWQSRIK-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 96.05 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.02
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 154950833) is 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is C1=CC2Oc3c(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)cc5)cc4)ccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3OC2C=C1.

What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is PXPPUMXBWQSRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N5O3/c1-2-11-41(12-3-1)59-64-60(66-61(65-59)52-17-8-16-51-50-15-4-5-18-53(50)67-56(51)52)42-27-23-39(24-28-42)38-21-25-40(26-22-38)48-29-30-49(58-57(48)68-54-19-6-7-20-55(54)69-58)47-34-45(43-13-9-31-62-36-43)33-46(35-47)44-14-10-32-63-37-44/h1-37,54-55H.

What are the key properties of 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 890.02 g/mol, XLogP of 14.53, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-[4-[4-[4-(3,5-dipyridin-3-ylphenyl)-5a,9a-dihydrodibenzo-p-dioxin-1-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 154950833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).