4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline

C229H127F10N35 — CID 160869026

About 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline

4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 160869026) has the molecular formula C229H127F10N35 and a molecular weight of 3558.76 g/mol. Its IUPAC name is 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 160869026
• Molecular Formula: C229H127F10N35
• Molecular Weight: 3558.76 g/mol
• Exact Mass: 3556.09
• IUPAC Name: 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: Fc1cc(-c2ccnc3c2ccc2cccnc23)ccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccnc4c3ccc3cccnc34)cc2F)n1.Fc1cc(-c2nc(-c3ccccc3)nc(-c3cc(F)c(-c4ccnc5c4ccc4cccnc45)c(F)c3)n2)cc(F)c1-c1ccnc2c1ccc1cccnc12.Fc1cc(-c2nc(-c3ccccc3)nc(-c3cc(F)cc(-c4ccnc5c4ccc4cccnc45)c3)n2)cc(-c2ccnc3c2ccc2cccnc23)c1.Fc1ccc(-c2ccnc3c2ccc2cccnc23)cc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccnc4c3ccc3cccnc34)ccc2F)n1.c1ccc2cc(-c3nc(-c4ccc(-c5ccnc6c5ccc5cccnc56)cc4)nc(-c4ccc(-c5ccnc6c5ccc5cccnc56)cc4)n3)ccc2c1
• InChI: InChI=1S/C49H29N7.C45H23F4N7.3C45H25F2N7/c1-2-6-37-29-38(18-9-30(37)5-1)49-55-47(35-14-10-31(11-15-35)39-23-27-52-45-41(39)21-19-33-7-3-25-50-43(33)45)54-48(56-49)36-16-12-32(13-17-36)40-24-28-53-46-42(40)22-20-34-8-4-26-51-44(34)46;46-33-20-27(21-34(47)37(33)29-14-18-52-41-31(29)12-10-24-8-4-16-50-39(24)41)44-54-43(26-6-2-1-3-7-26)55-45(56-44)28-22-35(48)38(36(49)23-28)30-15-19-53-42-32(30)13-11-25-9-5-17-51-40(25)42;46-37-16-12-29(31-18-22-50-41-33(31)14-10-26-8-4-20-48-39(26)41)24-35(37)44-52-43(28-6-2-1-3-7-28)53-45(54-44)36-25-30(13-17-38(36)47)32-19-23-51-42-34(32)15-11-27-9-5-21-49-40(27)42;46-37-24-29(31-18-22-50-41-33(31)14-10-26-8-4-20-48-39(26)41)12-16-35(37)44-52-43(28-6-2-1-3-7-28)53-45(54-44)36-17-13-30(25-38(36)47)32-19-23-51-42-34(32)15-11-27-9-5-21-49-40(27)42;46-33-22-29(35-14-18-50-41-37(35)12-10-26-8-4-16-48-39(26)41)20-31(24-33)44-52-43(28-6-2-1-3-7-28)53-45(54-44)32-21-30(23-34(47)25-32)36-15-19-51-42-38(36)13-11-27-9-5-17-49-40(27)42/h1-29H;1-23H;3*1-25H
• InChIKey: SLNABBSTEDRJIM-UHFFFAOYSA-N
• XLogP: 54.54
• TPSA: 451.15 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3558.76
LogP ≤ 5	54.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline (CID 160869026) is 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline is Fc1cc(-c2ccnc3c2ccc2cccnc23)ccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccnc4c3ccc3cccnc34)cc2F)n1.Fc1cc(-c2nc(-c3ccccc3)nc(-c3cc(F)c(-c4ccnc5c4ccc4cccnc45)c(F)c3)n2)cc(F)c1-c1ccnc2c1ccc1cccnc12.Fc1cc(-c2nc(-c3ccccc3)nc(-c3cc(F)cc(-c4ccnc5c4ccc4cccnc45)c3)n2)cc(-c2ccnc3c2ccc2cccnc23)c1.Fc1ccc(-c2ccnc3c2ccc2cccnc23)cc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccnc4c3ccc3cccnc34)ccc2F)n1.c1ccc2cc(-c3nc(-c4ccc(-c5ccnc6c5ccc5cccnc56)cc4)nc(-c4ccc(-c5ccnc6c5ccc5cccnc56)cc4)n3)ccc2c1.

What is the InChIKey of 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is SLNABBSTEDRJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N7.C45H23F4N7.3C45H25F2N7/c1-2-6-37-29-38(18-9-30(37)5-1)49-55-47(35-14-10-31(11-15-35)39-23-27-52-45-41(39)21-19-33-7-3-25-50-43(33)45)54-48(56-49)36-16-12-32(13-17-36)40-24-28-53-46-42(40)22-20-34-8-4-26-51-44(34)46;46-33-20-27(21-34(47)37(33)29-14-18-52-41-31(29)12-10-24-8-4-16-50-39(24)41)44-54-43(26-6-2-1-3-7-26)55-45(56-44)28-22-35(48)38(36(49)23-28)30-15-19-53-42-32(30)13-11-25-9-5-17-51-40(25)42;46-37-16-12-29(31-18-22-50-41-33(31)14-10-26-8-4-20-48-39(26)41)24-35(37)44-52-43(28-6-2-1-3-7-28)53-45(54-44)36-25-30(13-17-38(36)47)32-19-23-51-42-34(32)15-11-27-9-5-21-49-40(27)42;46-37-24-29(31-18-22-50-41-33(31)14-10-26-8-4-20-48-39(26)41)12-16-35(37)44-52-43(28-6-2-1-3-7-28)53-45(54-44)36-17-13-30(25-38(36)47)32-19-23-51-42-34(32)15-11-27-9-5-21-49-40(27)42;46-33-22-29(35-14-18-50-41-37(35)12-10-26-8-4-16-48-39(26)41)20-31(24-33)44-52-43(28-6-2-1-3-7-28)53-45(54-44)32-21-30(23-34(47)25-32)36-15-19-51-42-38(36)13-11-27-9-5-17-49-40(27)42/h1-29H;1-23H;3*1-25H.

What are the key properties of 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline?

4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 3558.76 g/mol, XLogP of 54.54, 25 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[3,5-difluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorophenyl]-1,10-phenanthroline;4-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[3-fluoro-5-[4-[3-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-fluoro-3-[4-[2-fluoro-5-(1,10-phenanthrolin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline;4-[4-[4-naphthalen-2-yl-6-[4-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 160869026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).