5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline

C63H37N13 — CID 148686627

About 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline

5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline (PubChem CID 148686627) has the molecular formula C63H37N13 and a molecular weight of 976.08 g/mol. Its IUPAC name is 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline.

Molecular Properties

• Compound Name: 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
• PubChem CID: 148686627
• Molecular Formula: C63H37N13
• Molecular Weight: 976.08 g/mol
• Exact Mass: 975.33
• IUPAC Name: 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4cc(-c5c6cccnc6cc6cccnc56)cc(-c5c6cccnc6cc6cccnc56)c4)nc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)n3)n2)cc1
• InChI: InChI=1S/C63H37N13/c1-5-17-38(18-6-1)55-68-56(39-19-7-2-8-20-39)71-60(70-55)62-74-59(75-63(76-62)61-72-57(40-21-9-3-10-22-40)69-58(73-61)41-23-11-4-12-24-41)46-34-44(51-47-27-15-29-64-49(47)36-42-25-13-31-66-53(42)51)33-45(35-46)52-48-28-16-30-65-50(48)37-43-26-14-32-67-54(43)52/h1-37H
• InChIKey: NSQGGDWEOHLAJF-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 167.57 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	976.08
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline?

The IUPAC name of 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline (CID 148686627) is 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline.

What is the SMILES notation for 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline?

The canonical SMILES for 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4cc(-c5c6cccnc6cc6cccnc56)cc(-c5c6cccnc6cc6cccnc56)c4)nc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)n3)n2)cc1.

What is the InChIKey of 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline?

The InChIKey is NSQGGDWEOHLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N13/c1-5-17-38(18-6-1)55-68-56(39-19-7-2-8-20-39)71-60(70-55)62-74-59(75-63(76-62)61-72-57(40-21-9-3-10-22-40)69-58(73-61)41-23-11-4-12-24-41)46-34-44(51-47-27-15-29-64-49(47)36-42-25-13-31-66-53(42)51)33-45(35-46)52-48-28-16-30-65-50(48)37-43-26-14-32-67-54(43)52/h1-37H.

What are the key properties of 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline?

5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline has a molecular weight of 976.08 g/mol, XLogP of 13.44, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline is sourced from PubChem (CID 148686627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).