4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline

C217H155N17 — CID 162010579

About 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline

4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline (PubChem CID 162010579) has the molecular formula C217H155N17 and a molecular weight of 3000.75 g/mol. Its IUPAC name is 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline
• PubChem CID: 162010579
• Molecular Formula: C217H155N17
• Molecular Weight: 3000.75 g/mol
• Exact Mass: 2998.27
• IUPAC Name: 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline
• SMILES: CC(C)(C)c1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)nc12.CC(C)c1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)nc12.CCc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)c4)c3)nc12
• InChI: InChI=1S/C56H42N4.C54H39N5.C54H38N4.C53H36N4/c1-56(2,3)48-35-50(39-17-9-5-10-18-39)58-54-47(48)31-29-41-30-32-49(57-53(41)54)45-23-13-21-43(33-45)44-22-14-24-46(34-44)52-36-51(40-19-11-6-12-20-40)59-55(60-52)42-27-25-38(26-28-42)37-15-7-4-8-16-37;1-35(2)47-34-49(38-16-8-4-9-17-38)56-51-46(47)30-28-39-29-31-48(55-50(39)51)44-22-12-20-42(32-44)43-21-13-23-45(33-43)54-58-52(40-18-10-5-11-19-40)57-53(59-54)41-26-24-37(25-27-41)36-14-6-3-7-15-36;1-2-36-34-49(39-16-8-4-9-17-39)56-53-47(36)30-28-42-29-31-48(55-52(42)53)45-22-12-20-43(32-45)44-21-13-23-46(33-44)54-57-50(40-18-10-5-11-19-40)35-51(58-54)41-26-24-38(25-27-41)37-14-6-3-7-15-37;1-35-31-48(38-15-7-3-8-16-38)55-52-46(35)29-27-40-28-30-47(54-51(40)52)44-21-11-19-42(32-44)43-20-12-22-45(33-43)50-34-49(56-53(57-50)41-17-9-4-10-18-41)39-25-23-37(24-26-39)36-13-5-2-6-14-36/h4-36H,1-3H3;3-35H,1-2H3;3-35H,2H2,1H3;2-34H,1H3
• InChIKey: YTKMDTOMXVDFLK-UHFFFAOYSA-N
• XLogP: 55.65
• TPSA: 219.13 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3000.75
LogP ≤ 5	55.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline?

The IUPAC name of 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline (CID 162010579) is 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline.

What is the SMILES notation for 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline?

The canonical SMILES for 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline is CC(C)(C)c1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)nc12.CC(C)c1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)nc12.CCc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)c4)c3)nc12.

What is the InChIKey of 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline?

The InChIKey is YTKMDTOMXVDFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N4.C54H39N5.C54H38N4.C53H36N4/c1-56(2,3)48-35-50(39-17-9-5-10-18-39)58-54-47(48)31-29-41-30-32-49(57-53(41)54)45-23-13-21-43(33-45)44-22-14-24-46(34-44)52-36-51(40-19-11-6-12-20-40)59-55(60-52)42-27-25-38(26-28-42)37-15-7-4-8-16-37;1-35(2)47-34-49(38-16-8-4-9-17-38)56-51-46(47)30-28-39-29-31-48(55-50(39)51)44-22-12-20-42(32-44)43-21-13-23-45(33-43)54-58-52(40-18-10-5-11-19-40)57-53(59-54)41-26-24-37(25-27-41)36-14-6-3-7-15-36;1-2-36-34-49(39-16-8-4-9-17-39)56-53-47(36)30-28-42-29-31-48(55-52(42)53)45-22-12-20-43(32-45)44-21-13-23-46(33-44)54-57-50(40-18-10-5-11-19-40)35-51(58-54)41-26-24-38(25-27-41)37-14-6-3-7-15-37;1-35-31-48(38-15-7-3-8-16-38)55-52-46(35)29-27-40-28-30-47(54-51(40)52)44-21-11-19-42(32-44)43-20-12-22-45(33-43)50-34-49(56-53(57-50)41-17-9-4-10-18-41)39-25-23-37(24-26-39)36-13-5-2-6-14-36/h4-36H,1-3H3;3-35H,1-2H3;3-35H,2H2,1H3;2-34H,1H3.

What are the key properties of 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline?

4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline has a molecular weight of 3000.75 g/mol, XLogP of 55.65, 30 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-phenyl-9-[3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;4-ethyl-2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,10-phenanthroline;4-methyl-2-phenyl-9-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4-propan-2-yl-1,10-phenanthroline is sourced from PubChem (CID 162010579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).