5-[3-[4,6-bis(benzo[g]quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline

C59H33N9 — CID 153466259

About 5-[3-[4,6-bis(benzo[g]quinolin-7-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(benzo[g]quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline (PubChem CID 153466259) has the molecular formula C59H33N9 and a molecular weight of 867.98 g/mol. Its IUPAC name is 5-[3-[4,6-bis(benzo[g]quinolin-7-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(benzo[g]quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
• PubChem CID: 153466259
• Molecular Formula: C59H33N9
• Molecular Weight: 867.98 g/mol
• Exact Mass: 867.29
• IUPAC Name: 5-[3-[4,6-bis(benzo[g]quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
• SMILES: c1cnc2cc3ccc(-c4nc(-c5cc(-c6c7cccnc7cc7cccnc67)cc(-c6c7cccnc7cc7cccnc67)c5)nc(-c5ccc6cc7ncccc7cc6c5)n4)cc3cc2c1
• InChI: InChI=1S/C59H33N9/c1-7-36-23-42-25-40(15-13-34(42)30-49(36)60-17-1)57-66-58(41-16-14-35-31-50-37(8-2-18-61-50)24-43(35)26-41)68-59(67-57)46-28-44(53-47-11-5-19-62-51(47)32-38-9-3-21-64-55(38)53)27-45(29-46)54-48-12-6-20-63-52(48)33-39-10-4-22-65-56(39)54/h1-33H
• InChIKey: SIHGCMSFFQPKIH-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.98
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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(benzo[g]quinolin-7-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(benzo[g]quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline (CID 153466259) is 5-[3-[4,6-bis(benzo[g]quinolin-7-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(benzo[g]quinolin-7-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(benzo[g]quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline is c1cnc2cc3ccc(-c4nc(-c5cc(-c6c7cccnc7cc7cccnc67)cc(-c6c7cccnc7cc7cccnc67)c5)nc(-c5ccc6cc7ncccc7cc6c5)n4)cc3cc2c1.

What is the InChIKey of 5-[3-[4,6-bis(benzo[g]quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline?

The InChIKey is SIHGCMSFFQPKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H33N9/c1-7-36-23-42-25-40(15-13-34(42)30-49(36)60-17-1)57-66-58(41-16-14-35-31-50-37(8-2-18-61-50)24-43(35)26-41)68-59(67-57)46-28-44(53-47-11-5-19-62-51(47)32-38-9-3-21-64-55(38)53)27-45(29-46)54-48-12-6-20-63-52(48)33-39-10-4-22-65-56(39)54/h1-33H.

What are the key properties of 5-[3-[4,6-bis(benzo[g]quinolin-7-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(benzo[g]quinolin-7-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 867.98 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4,6-bis(benzo[g]quinolin-7-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 153466259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).