2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine

C65H39N5O2 — CID 154613855

About 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine

2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine (PubChem CID 154613855) has the molecular formula C65H39N5O2 and a molecular weight of 922.06 g/mol. Its IUPAC name is 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
• PubChem CID: 154613855
• Molecular Formula: C65H39N5O2
• Molecular Weight: 922.06 g/mol
• Exact Mass: 921.31
• IUPAC Name: 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)n5)c4)c3)cc(-c3ccc4c(c3)oc3c5ccccc5ccc43)n2)cc1
• InChI: InChI=1S/C65H39N5O2/c1-4-16-40(17-5-1)50-28-14-29-52-53-30-15-31-55(61(53)72-60(50)52)65-69-63(43-21-8-3-9-22-43)68-64(70-65)48-26-13-24-45(37-48)44-23-12-25-46(36-44)56-39-57(67-62(66-56)42-19-6-2-7-20-42)47-33-34-51-54-35-32-41-18-10-11-27-49(41)59(54)71-58(51)38-47/h1-39H
• InChIKey: SMTHHUIQJZUTBO-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 90.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.06
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine?

The IUPAC name of 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine (CID 154613855) is 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine.

What is the SMILES notation for 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine?

The canonical SMILES for 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)n5)c4)c3)cc(-c3ccc4c(c3)oc3c5ccccc5ccc43)n2)cc1.

What is the InChIKey of 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine?

The InChIKey is SMTHHUIQJZUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N5O2/c1-4-16-40(17-5-1)50-28-14-29-52-53-30-15-31-55(61(53)72-60(50)52)65-69-63(43-21-8-3-9-22-43)68-64(70-65)48-26-13-24-45(37-48)44-23-12-25-46(36-44)56-39-57(67-62(66-56)42-19-6-2-7-20-42)47-33-34-51-54-35-32-41-18-10-11-27-49(41)59(54)71-58(51)38-47/h1-39H.

What are the key properties of 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine?

2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine has a molecular weight of 922.06 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 154613855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).