N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C64H44N4 — CID 66598607

About N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 66598607) has the molecular formula C64H44N4 and a molecular weight of 869.08 g/mol. Its IUPAC name is N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 66598607
• Molecular Formula: C64H44N4
• Molecular Weight: 869.08 g/mol
• Exact Mass: 868.36
• IUPAC Name: N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C64H44N4/c1-5-18-45(19-6-1)47-32-38-54(39-33-47)68(55-40-34-48(35-41-55)46-20-7-2-8-21-46)56-42-36-52(37-43-56)64(59-30-15-13-28-57(59)58-29-14-16-31-60(58)64)53-27-17-26-51(44-53)63-66-61(49-22-9-3-10-23-49)65-62(67-63)50-24-11-4-12-25-50/h1-44H
• InChIKey: HMCAZUVPNIXQEH-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.08
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 66598607) is N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.

What is the InChIKey of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is HMCAZUVPNIXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4/c1-5-18-45(19-6-1)47-32-38-54(39-33-47)68(55-40-34-48(35-41-55)46-20-7-2-8-21-46)56-42-36-52(37-43-56)64(59-30-15-13-28-57(59)58-29-14-16-31-60(58)64)53-27-17-26-51(44-53)63-66-61(49-22-9-3-10-23-49)65-62(67-63)50-24-11-4-12-25-50/h1-44H.

What are the key properties of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 869.08 g/mol, XLogP of 16.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 66598607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).