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

C61H41N5 — CID 154614371

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

2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 154614371) has the molecular formula C61H41N5 and a molecular weight of 844.03 g/mol. Its IUPAC name is 2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 154614371
• Molecular Formula: C61H41N5
• Molecular Weight: 844.03 g/mol
• Exact Mass: 843.34
• IUPAC Name: 2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5)c4)n3)c2)cc1
• InChI: InChI=1S/C61H41N5/c1-5-18-42(19-6-1)46-26-14-32-52(37-46)58-62-56(45-24-11-4-12-25-45)41-57(63-58)51-31-13-29-49(36-51)50-30-17-35-55(40-50)61-65-59(53-33-15-27-47(38-53)43-20-7-2-8-21-43)64-60(66-61)54-34-16-28-48(39-54)44-22-9-3-10-23-44/h1-41H
• InChIKey: IVQVFGGXRIBIEW-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.03
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine (CID 154614371) is 2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5)c4)n3)c2)cc1.

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

The InChIKey is IVQVFGGXRIBIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N5/c1-5-18-42(19-6-1)46-26-14-32-52(37-46)58-62-56(45-24-11-4-12-25-45)41-57(63-58)51-31-13-29-49(36-51)50-30-17-35-55(40-50)61-65-59(53-33-15-27-47(38-53)43-20-7-2-8-21-43)64-60(66-61)54-34-16-28-48(39-54)44-22-9-3-10-23-44/h1-41H.

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

2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 844.03 g/mol, XLogP of 15.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 154614371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).