10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine

C60H46N2 — CID 59399549

About 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine

10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine (PubChem CID 59399549) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
• PubChem CID: 59399549
• Molecular Formula: C60H46N2
• Molecular Weight: 795.04 g/mol
• Exact Mass: 794.37
• IUPAC Name: 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21
• InChI: InChI=1S/C60H46N2/c1-59(2)51-24-9-13-28-55(51)61(56-29-14-10-25-52(56)59)43-35-42(36-44(38-43)62-57-30-15-11-26-53(57)60(3,4)54-27-12-16-31-58(54)62)40-19-17-18-39(34-40)41-32-33-49-47-22-6-5-20-45(47)46-21-7-8-23-48(46)50(49)37-41/h5-38H,1-4H3
• InChIKey: GRAOWNBMZOYJDJ-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.04
LogP ≤ 5	16.70
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 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine?

The IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine (CID 59399549) is 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine?

The canonical SMILES for 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21.

What is the InChIKey of 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine?

The InChIKey is GRAOWNBMZOYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-59(2)51-24-9-13-28-55(51)61(56-29-14-10-25-52(56)59)43-35-42(36-44(38-43)62-57-30-15-11-26-53(57)60(3,4)54-27-12-16-31-58(54)62)40-19-17-18-39(34-40)41-32-33-49-47-22-6-5-20-45(47)46-21-7-8-23-48(46)50(49)37-41/h5-38H,1-4H3.

What are the key properties of 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine?

10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine has a molecular weight of 795.04 g/mol, XLogP of 16.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 59399549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).