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

C115H69N13 — CID 165089373

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

2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline (PubChem CID 165089373) has the molecular formula C115H69N13 and a molecular weight of 1632.91 g/mol. Its IUPAC name is 2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline
• PubChem CID: 165089373
• Molecular Formula: C115H69N13
• Molecular Weight: 1632.91 g/mol
• Exact Mass: 1631.58
• IUPAC Name: 2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9ccc%10ccc%11ccc(-c%12ccc%13ccccc%13c%12)nc%11c%10n9)cc8n7)cc6n5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)nc8c7)nc6c5)nc4c3n2)cc1
• InChI: InChI=1S/C58H34N6.C57H35N7/c1-2-7-36(8-3-1)47-27-22-39-15-16-42-25-31-52(64-58(42)57(39)61-47)51-30-21-38-11-18-45(33-54(38)60-51)48-26-20-37-12-19-46(34-53(37)59-48)50-29-24-41-14-13-40-23-28-49(62-55(40)56(41)63-50)44-17-10-35-6-4-5-9-43(35)32-44;1-4-11-36(12-5-1)47-31-27-39-21-22-40-28-32-50(61-54(40)53(39)60-47)45-24-20-38-26-30-49(59-52(38)35-45)44-23-19-37-25-29-48(58-51(37)34-44)43-17-10-18-46(33-43)57-63-55(41-13-6-2-7-14-41)62-56(64-57)42-15-8-3-9-16-42/h1-34H;1-35H
• InChIKey: WLDCQQBJPMPGLA-UHFFFAOYSA-N
• XLogP: 28.20
• TPSA: 167.57 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.91
LogP ≤ 5	28.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline?

The IUPAC name of 2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline (CID 165089373) is 2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline.

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

The canonical SMILES for 2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9ccc%10ccc%11ccc(-c%12ccc%13ccccc%13c%12)nc%11c%10n9)cc8n7)cc6n5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7ccc8ccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)nc8c7)nc6c5)nc4c3n2)cc1.

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

The InChIKey is WLDCQQBJPMPGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N6.C57H35N7/c1-2-7-36(8-3-1)47-27-22-39-15-16-42-25-31-52(64-58(42)57(39)61-47)51-30-21-38-11-18-45(33-54(38)60-51)48-26-20-37-12-19-46(34-53(37)59-48)50-29-24-41-14-13-40-23-28-49(62-55(40)56(41)63-50)44-17-10-35-6-4-5-9-43(35)32-44;1-4-11-36(12-5-1)47-31-27-39-21-22-40-28-32-50(61-54(40)53(39)60-47)45-24-20-38-26-30-49(59-52(38)35-45)44-23-19-37-25-29-48(58-51(37)34-44)43-17-10-18-46(33-43)57-63-55(41-13-6-2-7-14-41)62-56(64-57)42-15-8-3-9-16-42/h1-34H;1-35H.

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

2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline has a molecular weight of 1632.91 g/mol, XLogP of 28.20, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline is sourced from PubChem (CID 165089373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).