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

C67H43N5O — CID 154613908

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

2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine (PubChem CID 154613908) has the molecular formula C67H43N5O and a molecular weight of 934.12 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
• PubChem CID: 154613908
• Molecular Formula: C67H43N5O
• Molecular Weight: 934.12 g/mol
• Exact Mass: 933.35
• IUPAC Name: 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7c(-c9ccccc9)cccc78)n6)c5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
• InChI: InChI=1S/C67H43N5O/c1-5-17-44(18-6-1)46-33-37-49(38-34-46)60-43-61(69-64(68-60)51-39-35-47(36-40-51)45-19-7-2-8-20-45)54-27-13-25-52(41-54)53-26-14-28-55(42-53)66-70-65(50-23-11-4-12-24-50)71-67(72-66)59-32-16-31-58-57-30-15-29-56(62(57)73-63(58)59)48-21-9-3-10-22-48/h1-43H
• InChIKey: FBIPQJAZDZAXCF-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 77.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.12
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine (CID 154613908) is 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7c(-c9ccccc9)cccc78)n6)c5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.

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

The InChIKey is FBIPQJAZDZAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N5O/c1-5-17-44(18-6-1)46-33-37-49(38-34-46)60-43-61(69-64(68-60)51-39-35-47(36-40-51)45-19-7-2-8-20-45)54-27-13-25-52(41-54)53-26-14-28-55(42-53)66-70-65(50-23-11-4-12-24-50)71-67(72-66)59-32-16-31-58-57-30-15-29-56(62(57)73-63(58)59)48-21-9-3-10-22-48/h1-43H.

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

2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine has a molecular weight of 934.12 g/mol, XLogP of 17.23, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 154613908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).