4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline

C75H51N5 — CID 164970211

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

4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline (PubChem CID 164970211) has the molecular formula C75H51N5 and a molecular weight of 1022.27 g/mol. Its IUPAC name is 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline
• PubChem CID: 164970211
• Molecular Formula: C75H51N5
• Molecular Weight: 1022.27 g/mol
• Exact Mass: 1021.41
• IUPAC Name: 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5cccc(-c6ccccc6)c5)c(-c5ccccc5)c4)n3)cc2)cc1
• InChI: InChI=1S/C75H51N5/c1-6-21-52(22-7-1)55-37-41-59(42-38-55)73-76-74(60-43-39-56(40-44-60)53-23-8-2-9-24-53)78-75(77-73)62-50-68(57-27-12-4-13-28-57)72(69(51-62)58-29-14-5-15-30-58)79(65-32-20-31-61(49-65)54-25-10-3-11-26-54)63-45-47-64(48-46-63)80-70-35-18-16-33-66(70)67-34-17-19-36-71(67)80/h1-51H
• InChIKey: FHGHHGSUPDLRQT-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.27
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline (CID 164970211) is 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline.

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

The canonical SMILES for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5cccc(-c6ccccc6)c5)c(-c5ccccc5)c4)n3)cc2)cc1.

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

The InChIKey is FHGHHGSUPDLRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N5/c1-6-21-52(22-7-1)55-37-41-59(42-38-55)73-76-74(60-43-39-56(40-44-60)53-23-8-2-9-24-53)78-75(77-73)62-50-68(57-27-12-4-13-28-57)72(69(51-62)58-29-14-5-15-30-58)79(65-32-20-31-61(49-65)54-25-10-3-11-26-54)63-45-47-64(48-46-63)80-70-35-18-16-33-66(70)67-34-17-19-36-71(67)80/h1-51H.

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

4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline has a molecular weight of 1022.27 g/mol, XLogP of 19.77, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 164970211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).