2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C113H75N9 — CID 160870715

About 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 160870715) has the molecular formula C113H75N9 and a molecular weight of 1558.91 g/mol. Its IUPAC name is 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 160870715
• Molecular Formula: C113H75N9
• Molecular Weight: 1558.91 g/mol
• Exact Mass: 1557.61
• IUPAC Name: 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc5cccc(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6cccc(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c56)c4)n3)cc2)cc1
• InChI: InChI=1S/C59H39N5.C54H36N4/c1-5-16-40(17-6-1)41-30-36-48(37-31-41)58-62-57(47-22-11-4-12-23-47)63-59(64-58)50-27-13-26-49(38-50)52-29-15-25-45-24-14-28-51(55(45)52)42-32-34-44(35-33-42)54-39-53(43-18-7-2-8-19-43)60-56(61-54)46-20-9-3-10-21-46;1-5-16-38(17-6-1)48-36-51(56-53(55-48)43-22-11-4-12-23-43)41-32-30-37(31-33-41)46-28-14-24-42-25-15-29-47(52(42)46)44-26-13-27-45(34-44)54-57-49(39-18-7-2-8-19-39)35-50(58-54)40-20-9-3-10-21-40/h1-39H;1-36H
• InChIKey: SLSJGQSVBDOTBI-UHFFFAOYSA-N
• XLogP: 28.57
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1558.91
LogP ≤ 5	28.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 160870715) is 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3ccc(-c4cccc5cccc(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6cccc(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c56)c4)n3)cc2)cc1.

What is the InChIKey of 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is SLSJGQSVBDOTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5.C54H36N4/c1-5-16-40(17-6-1)41-30-36-48(37-31-41)58-62-57(47-22-11-4-12-23-47)63-59(64-58)50-27-13-26-49(38-50)52-29-15-25-45-24-14-28-51(55(45)52)42-32-34-44(35-33-42)54-39-53(43-18-7-2-8-19-43)60-56(61-54)46-20-9-3-10-21-46;1-5-16-38(17-6-1)48-36-51(56-53(55-48)43-22-11-4-12-23-43)41-32-30-37(31-33-41)46-28-14-24-42-25-15-29-47(52(42)46)44-26-13-27-45(34-44)54-57-49(39-18-7-2-8-19-39)35-50(58-54)40-20-9-3-10-21-40/h1-39H;1-36H.

What are the key properties of 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1558.91 g/mol, XLogP of 28.57, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160870715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).