2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

C116H70N12 — CID 159792615

About 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline (PubChem CID 159792615) has the molecular formula C116H70N12 and a molecular weight of 1631.92 g/mol. Its IUPAC name is 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
• PubChem CID: 159792615
• Molecular Formula: C116H70N12
• Molecular Weight: 1631.92 g/mol
• Exact Mass: 1630.58
• IUPAC Name: 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6nc(-c7c8ccccc8c(-c8ccc9ccc%10cccnc%10c9n8)c8ccccc78)ccc6c5)ccc4n3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6nc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)ccc6c5)ccc4n3)n2)cc1
• InChI: InChI=1S/C60H36N6.C56H34N6/c1-3-12-37(13-4-1)54-36-55(38-14-5-2-6-15-38)66-60(65-54)53-32-27-44-35-42(25-29-50(44)63-53)41-24-28-49-43(34-41)26-31-51(62-49)56-45-17-7-9-19-47(45)57(48-20-10-8-18-46(48)56)52-30-23-40-22-21-39-16-11-33-61-58(39)59(40)64-52;1-3-8-35(9-4-1)52-34-53(36-10-5-2-6-11-36)62-56(61-52)51-28-23-46-33-42(21-26-49(46)59-51)41-20-25-47-45(32-41)22-27-48(58-47)43-17-15-40-31-44(18-16-39(40)30-43)50-24-19-38-14-13-37-12-7-29-57-54(37)55(38)60-50/h1-36H;1-34H
• InChIKey: NITGRZRMTFSFCN-UHFFFAOYSA-N
• XLogP: 28.80
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.92
LogP ≤ 5	28.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The IUPAC name of 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline (CID 159792615) is 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The canonical SMILES for 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6nc(-c7c8ccccc8c(-c8ccc9ccc%10cccnc%10c9n8)c8ccccc78)ccc6c5)ccc4n3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6nc(-c7ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc8c7)ccc6c5)ccc4n3)n2)cc1.

What is the InChIKey of 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The InChIKey is NITGRZRMTFSFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6.C56H34N6/c1-3-12-37(13-4-1)54-36-55(38-14-5-2-6-15-38)66-60(65-54)53-32-27-44-35-42(25-29-50(44)63-53)41-24-28-49-43(34-41)26-31-51(62-49)56-45-17-7-9-19-47(45)57(48-20-10-8-18-46(48)56)52-30-23-40-22-21-39-16-11-33-61-58(39)59(40)64-52;1-3-8-35(9-4-1)52-34-53(36-10-5-2-6-11-36)62-56(61-52)51-28-23-46-33-42(21-26-49(46)59-51)41-20-25-47-45(32-41)22-27-48(58-47)43-17-15-40-31-44(18-16-39(40)30-43)50-24-19-38-14-13-37-12-7-29-57-54(37)55(38)60-50/h1-36H;1-34H.

What are the key properties of 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline has a molecular weight of 1631.92 g/mol, XLogP of 28.80, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 159792615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).