6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline

C74H44N10 — CID 146230638

About 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline

6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline (PubChem CID 146230638) has the molecular formula C74H44N10 and a molecular weight of 1073.24 g/mol. Its IUPAC name is 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

• Compound Name: 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline
• PubChem CID: 146230638
• Molecular Formula: C74H44N10
• Molecular Weight: 1073.24 g/mol
• Exact Mass: 1072.38
• IUPAC Name: 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline
• SMILES: c1ccc(-c2cc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc5ncccc5c4)n3)c3ccc4c(-c5ccccc5)cc(-c5nc(-c6ccc(-c7cccnc7)cc6)nc(-c6ccc7ncccc7c6)n5)c5ccc2c3c45)cc1
• InChI: InChI=1S/C74H44N10/c1-3-11-47(12-4-1)61-41-63(73-81-69(49-23-19-45(20-24-49)55-17-7-35-75-43-55)79-71(83-73)53-27-33-65-51(39-53)15-9-37-77-65)59-32-30-58-62(48-13-5-2-6-14-48)42-64(60-31-29-57(61)67(59)68(58)60)74-82-70(50-25-21-46(22-26-50)56-18-8-36-76-44-56)80-72(84-74)54-28-34-66-52(40-54)16-10-38-78-66/h1-44H
• InChIKey: OLPAILSTXSCQMP-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.24
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline?

The IUPAC name of 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline (CID 146230638) is 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline.

What is the SMILES notation for 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline?

The canonical SMILES for 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline is c1ccc(-c2cc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc5ncccc5c4)n3)c3ccc4c(-c5ccccc5)cc(-c5nc(-c6ccc(-c7cccnc7)cc6)nc(-c6ccc7ncccc7c6)n5)c5ccc2c3c45)cc1.

What is the InChIKey of 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline?

The InChIKey is OLPAILSTXSCQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N10/c1-3-11-47(12-4-1)61-41-63(73-81-69(49-23-19-45(20-24-49)55-17-7-35-75-43-55)79-71(83-73)53-27-33-65-51(39-53)15-9-37-77-65)59-32-30-58-62(48-13-5-2-6-14-48)42-64(60-31-29-57(61)67(59)68(58)60)74-82-70(50-25-21-46(22-26-50)56-18-8-36-76-44-56)80-72(84-74)54-28-34-66-52(40-54)16-10-38-78-66/h1-44H.

What are the key properties of 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline?

6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline has a molecular weight of 1073.24 g/mol, XLogP of 17.51, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 146230638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).