1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline

C53H33NS — CID 164716098

About 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline

1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline (PubChem CID 164716098) has the molecular formula C53H33NS and a molecular weight of 715.92 g/mol. Its IUPAC name is 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline.

Molecular Properties

• Compound Name: 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline
• PubChem CID: 164716098
• Molecular Formula: C53H33NS
• Molecular Weight: 715.92 g/mol
• Exact Mass: 715.23
• IUPAC Name: 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline
• SMILES: c1ccc(-c2sc(-c3ccccc3)c3c2c(-c2ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc2)nc2ccccc23)cc1
• InChI: InChI=1S/C53H33NS/c1-3-14-36(15-4-1)52-49-46-24-11-12-25-48(46)54-51(50(49)53(55-52)37-16-5-2-6-17-37)35-28-26-34(27-29-35)38-18-13-19-39(32-38)40-30-31-45-43-22-8-7-20-41(43)42-21-9-10-23-44(42)47(45)33-40/h1-33H
• InChIKey: ZTTUYQSJDZOWIL-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 12.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.92
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline?

The IUPAC name of 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline (CID 164716098) is 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline.

What is the SMILES notation for 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline?

The canonical SMILES for 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline is c1ccc(-c2sc(-c3ccccc3)c3c2c(-c2ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc2)nc2ccccc23)cc1.

What is the InChIKey of 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline?

The InChIKey is ZTTUYQSJDZOWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NS/c1-3-14-36(15-4-1)52-49-46-24-11-12-25-48(46)54-51(50(49)53(55-52)37-16-5-2-6-17-37)35-28-26-34(27-29-35)38-18-13-19-39(32-38)40-30-31-45-43-22-8-7-20-41(43)42-21-9-10-23-44(42)47(45)33-40/h1-33H.

What are the key properties of 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline?

1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline has a molecular weight of 715.92 g/mol, XLogP of 15.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline is sourced from PubChem (CID 164716098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).