2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline

C105H65N11 — CID 165009451

About 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline

2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline (PubChem CID 165009451) has the molecular formula C105H65N11 and a molecular weight of 1480.75 g/mol. Its IUPAC name is 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline
• PubChem CID: 165009451
• Molecular Formula: C105H65N11
• Molecular Weight: 1480.75 g/mol
• Exact Mass: 1479.54
• IUPAC Name: 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccc9ccc%10ccccc%10c9n8)nc7c6)nc5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccc9ccc%10ccccc%10c9n8)nc7c6)nc5c4)cc3)n2)cc1
• InChI: InChI=1S/C53H33N5.C52H32N6/c1-3-10-36(11-4-1)50-33-51(58-53(57-50)41-12-5-2-6-13-41)37-18-15-34(16-19-37)42-23-20-38-25-28-45(54-48(38)31-42)43-24-21-39-26-29-46(55-49(39)32-43)47-30-27-40-22-17-35-9-7-8-14-44(35)52(40)56-47;1-3-10-38(11-4-1)50-56-51(39-12-5-2-6-13-39)58-52(57-50)40-21-15-33(16-22-40)41-23-18-35-25-28-44(53-47(35)31-41)42-24-19-36-26-29-45(54-48(36)32-42)46-30-27-37-20-17-34-9-7-8-14-43(34)49(37)55-46/h1-33H;1-32H
• InChIKey: JLVZESOAXGVKDJ-UHFFFAOYSA-N
• XLogP: 25.95
• TPSA: 141.79 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.75
LogP ≤ 5	25.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline?

The IUPAC name of 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline (CID 165009451) is 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline.

What is the SMILES notation for 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline?

The canonical SMILES for 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccc9ccc%10ccccc%10c9n8)nc7c6)nc5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccc9ccc%10ccccc%10c9n8)nc7c6)nc5c4)cc3)n2)cc1.

What is the InChIKey of 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline?

The InChIKey is JLVZESOAXGVKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5.C52H32N6/c1-3-10-36(11-4-1)50-33-51(58-53(57-50)41-12-5-2-6-13-41)37-18-15-34(16-19-37)42-23-20-38-25-28-45(54-48(38)31-42)43-24-21-39-26-29-46(55-49(39)32-43)47-30-27-40-22-17-35-9-7-8-14-44(35)52(40)56-47;1-3-10-38(11-4-1)50-56-51(39-12-5-2-6-13-39)58-52(57-50)40-21-15-33(16-22-40)41-23-18-35-25-28-44(53-47(35)31-41)42-24-19-36-26-29-45(54-48(36)32-42)46-30-27-37-20-17-34-9-7-8-14-43(34)49(37)55-46/h1-33H;1-32H.

What are the key properties of 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline?

2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline has a molecular weight of 1480.75 g/mol, XLogP of 25.95, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline is sourced from PubChem (CID 165009451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).