2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline

C104H64N12 — CID 165094254

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 165094254) has the molecular formula C104H64N12 and a molecular weight of 1481.74 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline
• PubChem CID: 165094254
• Molecular Formula: C104H64N12
• Molecular Weight: 1481.74 g/mol
• Exact Mass: 1480.54
• IUPAC Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)nc9c8)nc7c6)cc5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6ccc(-c7cc8ccccc8c8ccccc78)cc6n5)cc4n3)n2)cc1
• InChI: InChI=1S/C57H35N7.C47H29N5/c1-4-10-37(11-5-1)47-31-28-41-22-23-42-29-32-48(61-54(42)53(41)60-47)38-18-16-36(17-19-38)45-24-20-39-26-30-49(58-51(39)34-45)46-25-21-40-27-33-50(59-52(40)35-46)57-63-55(43-12-6-2-7-13-43)62-56(64-57)44-14-8-3-9-15-44;1-3-11-32(12-4-1)45-50-46(33-13-5-2-6-14-33)52-47(51-45)42-26-24-31-20-22-36(29-44(31)49-42)41-25-23-30-19-21-35(28-43(30)48-41)40-27-34-15-7-8-16-37(34)38-17-9-10-18-39(38)40/h1-35H;1-29H
• InChIKey: XFRMENVIVDALAP-UHFFFAOYSA-N
• XLogP: 25.34
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.74
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline?

The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline (CID 165094254) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline.

What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline?

The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc(-c8ccc9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)nc9c8)nc7c6)cc5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6ccc(-c7cc8ccccc8c8ccccc78)cc6n5)cc4n3)n2)cc1.

What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline?

The InChIKey is XFRMENVIVDALAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N7.C47H29N5/c1-4-10-37(11-5-1)47-31-28-41-22-23-42-29-32-48(61-54(42)53(41)60-47)38-18-16-36(17-19-38)45-24-20-39-26-30-49(58-51(39)34-45)46-25-21-40-27-33-50(59-52(40)35-46)57-63-55(43-12-6-2-7-13-43)62-56(64-57)44-14-8-3-9-15-44;1-3-11-32(12-4-1)45-50-46(33-13-5-2-6-14-33)52-47(51-45)42-26-24-31-20-22-36(29-44(31)49-42)41-25-23-30-19-21-35(28-43(30)48-41)40-27-34-15-7-8-16-37(34)38-17-9-10-18-39(38)40/h1-35H;1-29H.

What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline?

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 1481.74 g/mol, XLogP of 25.34, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 165094254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).