azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline

C52H41N5 — CID 144989697

About azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline

azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline (PubChem CID 144989697) has the molecular formula C52H41N5 and a molecular weight of 735.94 g/mol. Its IUPAC name is azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline.

Molecular Properties

• Compound Name: azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline
• PubChem CID: 144989697
• Molecular Formula: C52H41N5
• Molecular Weight: 735.94 g/mol
• Exact Mass: 735.34
• IUPAC Name: azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline
• SMILES: Cc1cccc2ccc3c(-c4ccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc(-c6cccc7c6N=CCC7)c5)cc4)ccc(C)c3c12.N
• InChI: InChI=1S/C52H38N4.H3N/c1-33-12-9-17-37-26-28-46-44(27-21-34(2)48(46)47(33)37)36-24-22-35(23-25-36)41-30-42(45-20-10-18-38-19-11-29-53-49(38)45)32-43(31-41)52-55-50(39-13-5-3-6-14-39)54-51(56-52)40-15-7-4-8-16-40;/h3-10,12-18,20-32H,11,19H2,1-2H3;1H3
• InChIKey: STNLEMONVLKVHP-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 86.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.94
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline?

The IUPAC name of azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline (CID 144989697) is azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline.

What is the SMILES notation for azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline?

The canonical SMILES for azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline is Cc1cccc2ccc3c(-c4ccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc(-c6cccc7c6N=CCC7)c5)cc4)ccc(C)c3c12.N.

What is the InChIKey of azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline?

The InChIKey is STNLEMONVLKVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4.H3N/c1-33-12-9-17-37-26-28-46-44(27-21-34(2)48(46)47(33)37)36-24-22-35(23-25-36)41-30-42(45-20-10-18-38-19-11-29-53-49(38)45)32-43(31-41)52-55-50(39-13-5-3-6-14-39)54-51(56-52)40-15-7-4-8-16-40;/h3-10,12-18,20-32H,11,19H2,1-2H3;1H3.

What are the key properties of azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline?

azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline has a molecular weight of 735.94 g/mol, XLogP of 13.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for azane;8-[3-[4-(4,5-dimethylphenanthren-1-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydroquinoline is sourced from PubChem (CID 144989697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).