4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

C102H62N14 — CID 165039274

About 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 165039274) has the molecular formula C102H62N14 and a molecular weight of 1483.72 g/mol. Its IUPAC name is 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 165039274
• Molecular Formula: C102H62N14
• Molecular Weight: 1483.72 g/mol
• Exact Mass: 1482.53
• IUPAC Name: 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6nc(-c7ccc(-c8cc9cccnc9c9ncccc89)cc7)ccc6c5)cc4n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6nc(-c7ccc(-c8ccnc9c8ccc8cccnc89)cc7)ccc6c5)cc4n3)n2)cc1
• InChI: InChI=1S/2C51H31N7/c1-3-9-35(10-4-1)49-56-50(36-11-5-2-6-12-36)58-51(57-49)45-26-21-34-19-20-38(31-46(34)55-45)37-22-24-44-39(29-37)23-25-43(54-44)33-17-15-32(16-18-33)42-30-40-13-7-27-52-47(40)48-41(42)14-8-28-53-48;1-3-8-36(9-4-1)49-56-50(37-10-5-2-6-11-37)58-51(57-49)45-26-20-34-17-18-39(31-46(34)55-45)38-21-24-44-40(30-38)22-25-43(54-44)33-15-13-32(14-16-33)41-27-29-53-48-42(41)23-19-35-12-7-28-52-47(35)48/h2*1-31H
• InChIKey: NWDREDPYUODWPM-UHFFFAOYSA-N
• XLogP: 24.13
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1483.72
LogP ≤ 5	24.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 165039274) is 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6nc(-c7ccc(-c8cc9cccnc9c9ncccc89)cc7)ccc6c5)cc4n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6nc(-c7ccc(-c8ccnc9c8ccc8cccnc89)cc7)ccc6c5)cc4n3)n2)cc1.

What is the InChIKey of 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is NWDREDPYUODWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H31N7/c1-3-9-35(10-4-1)49-56-50(36-11-5-2-6-12-36)58-51(57-49)45-26-21-34-19-20-38(31-46(34)55-45)37-22-24-44-39(29-37)23-25-43(54-44)33-17-15-32(16-18-33)42-30-40-13-7-27-52-47(40)48-41(42)14-8-28-53-48;1-3-8-36(9-4-1)49-56-50(37-10-5-2-6-11-37)58-51(57-49)45-26-20-34-17-18-39(31-46(34)55-45)38-21-24-44-40(30-38)22-25-43(54-44)33-15-13-32(14-16-33)41-27-29-53-48-42(41)23-19-35-12-7-28-52-47(35)48/h2*1-31H.

What are the key properties of 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1483.72 g/mol, XLogP of 24.13, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 165039274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).