2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

C100H62N10 — CID 164957283

About 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 164957283) has the molecular formula C100H62N10 and a molecular weight of 1403.67 g/mol. Its IUPAC name is 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 164957283
• Molecular Formula: C100H62N10
• Molecular Weight: 1403.67 g/mol
• Exact Mass: 1402.52
• IUPAC Name: 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2cc(-c3ccc4ccc(-c5ccc6nc(-c7cc8ccccc8c8ccccc78)ccc6c5)cc4n3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4ccc(-c5ccc6nc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)ccc6c5)cc4n3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C52H32N6.C48H30N4/c1-3-8-33(9-4-1)48-32-49(58-52(57-48)39-10-5-2-6-11-39)46-28-21-36-17-20-41(31-47(36)55-46)40-23-26-45-42(30-40)24-27-43(54-45)34-13-15-35(16-14-34)44-25-22-38-19-18-37-12-7-29-53-50(37)51(38)56-44;1-3-11-31(12-4-1)46-30-47(52-48(51-46)33-13-5-2-6-14-33)44-26-21-32-19-20-35(29-45(32)50-44)34-22-24-42-37(27-34)23-25-43(49-42)41-28-36-15-7-8-16-38(36)39-17-9-10-18-40(39)41/h1-32H;1-30H
• InChIKey: BIQKWHROWFTDTR-UHFFFAOYSA-N
• XLogP: 24.89
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1403.67
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 164957283) is 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2cc(-c3ccc4ccc(-c5ccc6nc(-c7cc8ccccc8c8ccccc78)ccc6c5)cc4n3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4ccc(-c5ccc6nc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)ccc6c5)cc4n3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is BIQKWHROWFTDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6.C48H30N4/c1-3-8-33(9-4-1)48-32-49(58-52(57-48)39-10-5-2-6-11-39)46-28-21-36-17-20-41(31-47(36)55-46)40-23-26-45-42(30-40)24-27-43(54-45)34-13-15-35(16-14-34)44-25-22-38-19-18-37-12-7-29-53-50(37)51(38)56-44;1-3-11-31(12-4-1)46-30-47(52-48(51-46)33-13-5-2-6-14-33)44-26-21-32-19-20-35(29-45(32)50-44)34-22-24-42-37(27-34)23-25-43(49-42)41-28-36-15-7-8-16-38(36)39-17-9-10-18-40(39)41/h1-32H;1-30H.

What are the key properties of 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1403.67 g/mol, XLogP of 24.89, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 164957283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).