2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C62H41N5 — CID 146367748

About 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146367748) has the molecular formula C62H41N5 and a molecular weight of 856.05 g/mol. Its IUPAC name is 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 146367748
• Molecular Formula: C62H41N5
• Molecular Weight: 856.05 g/mol
• Exact Mass: 855.34
• IUPAC Name: 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
• InChI: InChI=1S/C62H41N5/c1-7-21-43(22-8-1)56-41-57(44-23-9-2-10-24-44)64-61(63-56)53-40-55-52(50-33-19-20-34-54(50)62(55,48-29-15-5-16-30-48)49-31-17-6-18-32-49)39-51(53)42-35-37-47(38-36-42)60-66-58(45-25-11-3-12-26-45)65-59(67-60)46-27-13-4-14-28-46/h1-41H
• InChIKey: QFULXORQKYFMII-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.05
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 146367748) is 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.

What is the InChIKey of 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is QFULXORQKYFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N5/c1-7-21-43(22-8-1)56-41-57(44-23-9-2-10-24-44)64-61(63-56)53-40-55-52(50-33-19-20-34-54(50)62(55,48-29-15-5-16-30-48)49-31-17-6-18-32-49)39-51(53)42-35-37-47(38-36-42)60-66-58(45-25-11-3-12-26-45)65-59(67-60)46-27-13-4-14-28-46/h1-41H.

What are the key properties of 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 856.05 g/mol, XLogP of 14.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146367748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).