2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine

C142H97F6N15O2P2S — CID 158118507

About 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine

2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 158118507) has the molecular formula C142H97F6N15O2P2S and a molecular weight of 2253.44 g/mol. Its IUPAC name is 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 158118507
• Molecular Formula: C142H97F6N15O2P2S
• Molecular Weight: 2253.44 g/mol
• Exact Mass: 2251.70
• IUPAC Name: 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
• SMILES: Cc1ccccc1-c1cccc(-c2nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)n2)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3c2c1.c1cc(-c2nc(-c3cccc(-n4cccn4)c3)nc(-c3cccc(-n4cccn4)c3)n2)cc(-n2cccc2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
• InChI: InChI=1S/C42H27F6N3.C36H26O2P2S.C33H22N4.C31H22N8/c1-26-11-2-3-18-33(26)27-12-8-15-30(23-27)38-49-39(31-16-9-13-28(24-31)34-19-4-6-21-36(34)41(43,44)45)51-40(50-38)32-17-10-14-29(25-32)35-20-5-7-22-37(35)42(46,47)48;37-39(27-13-5-1-6-14-27,28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)41-35)40(38,29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26;1-2-17-37(16-1)26-11-3-8-23(20-26)29-34-30(24-9-4-12-27(21-24)38-18-6-14-32-38)36-31(35-29)25-10-5-13-28(22-25)39-19-7-15-33-39/h2-25H,1H3;1-26H;1-22H;1-22H
• InChIKey: FRHYTIVAWPSTID-UHFFFAOYSA-N
• XLogP: 33.56
• TPSA: 195.65 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2253.44
LogP ≤ 5	33.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine (CID 158118507) is 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine is Cc1ccccc1-c1cccc(-c2nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)n2)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3c2c1.c1cc(-c2nc(-c3cccc(-n4cccn4)c3)nc(-c3cccc(-n4cccn4)c3)n2)cc(-n2cccc2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.

What is the InChIKey of 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?

The InChIKey is FRHYTIVAWPSTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27F6N3.C36H26O2P2S.C33H22N4.C31H22N8/c1-26-11-2-3-18-33(26)27-12-8-15-30(23-27)38-49-39(31-16-9-13-28(24-31)34-19-4-6-21-36(34)41(43,44)45)51-40(50-38)32-17-10-14-29(25-32)35-20-5-7-22-37(35)42(46,47)48;37-39(27-13-5-1-6-14-27,28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)41-35)40(38,29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26;1-2-17-37(16-1)26-11-3-8-23(20-26)29-34-30(24-9-4-12-27(21-24)38-18-6-14-32-38)36-31(35-29)25-10-5-13-28(22-25)39-19-7-15-33-39/h2-25H,1H3;1-26H;1-22H;1-22H.

What are the key properties of 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?

2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 2253.44 g/mol, XLogP of 33.56, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 158118507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).