2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine

C53H35N3O2 — CID 167007605

About 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine

2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 167007605) has the molecular formula C53H35N3O2 and a molecular weight of 745.88 g/mol. Its IUPAC name is 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 167007605
• Molecular Formula: C53H35N3O2
• Molecular Weight: 745.88 g/mol
• Exact Mass: 745.27
• IUPAC Name: 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
• SMILES: C1=C(c2nc(C3=c4ccccc4=C(c4cccc5oc6ccc(-c7ccc8ccccc8c7)cc6c45)CC3)nc(-c3ccccc3)n2)c2c(oc3ccccc23)CC1
• InChI: InChI=1S/C53H35N3O2/c1-2-13-33(14-3-1)51-54-52(56-53(55-51)43-20-11-23-48-50(43)42-18-8-9-21-45(42)57-48)41-28-27-39(37-16-6-7-17-38(37)41)40-19-10-22-47-49(40)44-31-36(26-29-46(44)58-47)35-25-24-32-12-4-5-15-34(32)30-35/h1-10,12-22,24-26,29-31H,11,23,27-28H2
• InChIKey: WPXOZWZOLPRSGL-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.88
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine (CID 167007605) is 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine is C1=C(c2nc(C3=c4ccccc4=C(c4cccc5oc6ccc(-c7ccc8ccccc8c7)cc6c45)CC3)nc(-c3ccccc3)n2)c2c(oc3ccccc23)CC1.

What is the InChIKey of 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is WPXOZWZOLPRSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O2/c1-2-13-33(14-3-1)51-54-52(56-53(55-51)43-20-11-23-48-50(43)42-18-8-9-21-45(42)57-48)41-28-27-39(37-16-6-7-17-38(37)41)40-19-10-22-47-49(40)44-31-36(26-29-46(44)58-47)35-25-24-32-12-4-5-15-34(32)30-35/h1-10,12-22,24-26,29-31H,11,23,27-28H2.

What are the key properties of 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine?

2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 745.88 g/mol, XLogP of 11.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167007605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).