N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine

C59H41NO — CID 121321641

About N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 121321641) has the molecular formula C59H41NO and a molecular weight of 779.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine
• PubChem CID: 121321641
• Molecular Formula: C59H41NO
• Molecular Weight: 779.98 g/mol
• Exact Mass: 779.32
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C59H41NO/c1-59(2)54-36-41(53-35-40-17-6-7-18-44(40)47-20-8-9-21-48(47)53)29-33-49(54)50-34-32-43(37-55(50)59)60(56-25-12-10-19-45(56)38-15-4-3-5-16-38)42-30-27-39(28-31-42)46-23-14-24-52-51-22-11-13-26-57(51)61-58(46)52/h3-37H,1-2H3
• InChIKey: PKBVZYHNHGYDJF-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.98
LogP ≤ 5	16.67
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 N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine (CID 121321641) is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccccc3)cc21.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine?

The InChIKey is PKBVZYHNHGYDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO/c1-59(2)54-36-41(53-35-40-17-6-7-18-44(40)47-20-8-9-21-48(47)53)29-33-49(54)50-34-32-43(37-55(50)59)60(56-25-12-10-19-45(56)38-15-4-3-5-16-38)42-30-27-39(28-31-42)46-23-14-24-52-51-22-11-13-26-57(51)61-58(46)52/h3-37H,1-2H3.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine?

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 779.98 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 121321641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).