2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C127H104B3N9O6 — CID 157058142

About 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 157058142) has the molecular formula C127H104B3N9O6 and a molecular weight of 1884.72 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 157058142
• Molecular Formula: C127H104B3N9O6
• Molecular Weight: 1884.72 g/mol
• Exact Mass: 1883.84
• IUPAC Name: 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)OB(c2cc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)OB(c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)OB(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)OC1(C)C
• InChI: InChI=1S/C45H36BN3O2.2C41H34BN3O2/c1-44(2)45(3,4)51-46(50-44)34-26-32(31-23-24-39-37-21-12-11-19-35(37)36-20-13-14-22-38(36)40(39)28-31)25-33(27-34)43-48-41(29-15-7-5-8-16-29)47-42(49-43)30-17-9-6-10-18-30;1-40(2)41(3,4)47-42(46-40)32-24-30(36-26-29-19-11-12-20-33(29)34-21-13-14-22-35(34)36)23-31(25-32)39-44-37(27-15-7-5-8-16-27)43-38(45-39)28-17-9-6-10-18-28;1-40(2)41(3,4)47-42(46-40)34-25-32(30-21-22-36-31(23-30)20-19-27-13-11-12-18-35(27)36)24-33(26-34)39-44-37(28-14-7-5-8-15-28)43-38(45-39)29-16-9-6-10-17-29/h5-28H,1-4H3;2*5-26H,1-4H3
• InChIKey: AAZQBWSUUZPMSW-UHFFFAOYSA-N
• XLogP: 28.59
• TPSA: 171.39 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.72
LogP ≤ 5	28.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 157058142) is 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)OB(c2cc(-c3ccc4c(ccc5ccccc54)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)OB(c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)OB(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)OC1(C)C.

What is the InChIKey of 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is AAZQBWSUUZPMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36BN3O2.2C41H34BN3O2/c1-44(2)45(3,4)51-46(50-44)34-26-32(31-23-24-39-37-21-12-11-19-35(37)36-20-13-14-22-38(36)40(39)28-31)25-33(27-34)43-48-41(29-15-7-5-8-16-29)47-42(49-43)30-17-9-6-10-18-30;1-40(2)41(3,4)47-42(46-40)32-24-30(36-26-29-19-11-12-20-33(29)34-21-13-14-22-35(34)36)23-31(25-32)39-44-37(27-15-7-5-8-16-27)43-38(45-39)28-17-9-6-10-18-28;1-40(2)41(3,4)47-42(46-40)34-25-32(30-21-22-36-31(23-30)20-19-27-13-11-12-18-35(27)36)24-33(26-34)39-44-37(28-14-7-5-8-15-28)43-38(45-39)29-16-9-6-10-17-29/h5-28H,1-4H3;2*5-26H,1-4H3.

What are the key properties of 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1884.72 g/mol, XLogP of 28.59, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine;2-[3-phenanthren-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157058142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).