7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine

C59H42N2O — CID 118122889

About 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine

7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine (PubChem CID 118122889) has the molecular formula C59H42N2O and a molecular weight of 795.00 g/mol. Its IUPAC name is 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine.

Molecular Properties

• Compound Name: 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine
• PubChem CID: 118122889
• Molecular Formula: C59H42N2O
• Molecular Weight: 795.00 g/mol
• Exact Mass: 794.33
• IUPAC Name: 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccc5ccccc5c4c3)cc21
• InChI: InChI=1S/C59H42N2O/c1-59(2)53-36-44(43-27-34-58-52(35-43)50-19-11-12-20-57(50)62-58)26-32-55(53)61(46-28-23-40(24-29-46)39-13-5-3-6-14-39)56-33-31-48(38-54(56)59)60(45-16-7-4-8-17-45)47-30-25-42-22-21-41-15-9-10-18-49(41)51(42)37-47/h3-38H,1-2H3
• InChIKey: HBVWVDXMWJHLLV-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.00
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine?

The IUPAC name of 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine (CID 118122889) is 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine.

What is the SMILES notation for 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine?

The canonical SMILES for 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine is CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccc5ccccc5c4c3)cc21.

What is the InChIKey of 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine?

The InChIKey is HBVWVDXMWJHLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O/c1-59(2)53-36-44(43-27-34-58-52(35-43)50-19-11-12-20-57(50)62-58)26-32-55(53)61(46-28-23-40(24-29-46)39-13-5-3-6-14-39)56-33-31-48(38-54(56)59)60(45-16-7-4-8-17-45)47-30-25-42-22-21-41-15-9-10-18-49(41)51(42)37-47/h3-38H,1-2H3.

What are the key properties of 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine?

7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine has a molecular weight of 795.00 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine is sourced from PubChem (CID 118122889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).