2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine

C47H29N3O2 — CID 170009814

About 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine

2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170009814) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 170009814
• Molecular Formula: C47H29N3O2
• Molecular Weight: 667.77 g/mol
• Exact Mass: 667.23
• IUPAC Name: 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine
• SMILES: C1=Cc2c(ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7c(-c8ccc9c(c8)oc8ccccc89)cccc7c56)n4)ccc23)CC1
• InChI: InChI=1S/C47H29N3O2/c1-2-11-29(12-3-1)45-48-46(32-23-24-34-30(26-32)21-20-28-10-4-5-13-33(28)34)50-47(49-45)39-17-9-19-41-43(39)38-16-8-15-35(44(38)52-41)31-22-25-37-36-14-6-7-18-40(36)51-42(37)27-31/h1-3,5-9,11-27H,4,10H2
• InChIKey: GGYGPJWFGPSQDL-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.77
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine (CID 170009814) is 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine is C1=Cc2c(ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7c(-c8ccc9c(c8)oc8ccccc89)cccc7c56)n4)ccc23)CC1.

What is the InChIKey of 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is GGYGPJWFGPSQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-2-11-29(12-3-1)45-48-46(32-23-24-34-30(26-32)21-20-28-10-4-5-13-33(28)34)50-47(49-45)39-17-9-19-41-43(39)38-16-8-15-35(44(38)52-41)31-22-25-37-36-14-6-7-18-40(36)51-42(37)27-31/h1-3,5-9,11-27H,4,10H2.

What are the key properties of 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine?

2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 667.77 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170009814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).