2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine

C63H39N5O — CID 154613651

About 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine

2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine (PubChem CID 154613651) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
• PubChem CID: 154613651
• Molecular Formula: C63H39N5O
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.32
• IUPAC Name: 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)c5)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
• InChI: InChI=1S/C63H39N5O/c1-2-14-40(15-3-1)41-30-32-44(33-31-41)56-39-57(65-60(64-56)49-34-35-53-52-26-8-9-29-58(52)69-59(53)38-49)47-22-10-20-45(36-47)46-21-11-23-48(37-46)61-66-62(54-27-12-18-42-16-4-6-24-50(42)54)68-63(67-61)55-28-13-19-43-17-5-7-25-51(43)55/h1-39H
• InChIKey: DJOVBLFHCHNJJW-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 77.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.04
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?

The IUPAC name of 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine (CID 154613651) is 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine.

What is the SMILES notation for 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?

The canonical SMILES for 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)c5)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.

What is the InChIKey of 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?

The InChIKey is DJOVBLFHCHNJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-2-14-40(15-3-1)41-30-32-44(33-31-41)56-39-57(65-60(64-56)49-34-35-53-52-26-8-9-29-58(52)69-59(53)38-49)47-22-10-20-45(36-47)46-21-11-23-48(37-46)61-66-62(54-27-12-18-42-16-4-6-24-50(42)54)68-63(67-61)55-28-13-19-43-17-5-7-25-51(43)55/h1-39H.

What are the key properties of 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?

2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine has a molecular weight of 882.04 g/mol, XLogP of 16.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 154613651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).