N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine

C61H47N — CID 155623482

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine (PubChem CID 155623482) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine
• PubChem CID: 155623482
• Molecular Formula: C61H47N
• Molecular Weight: 794.05 g/mol
• Exact Mass: 793.37
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine
• SMILES: Cc1cc(-c2cc3ccccc3c3ccccc23)cc(-c2ccc3ccccc3c2)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2
• InChI: InChI=1S/C61H47N/c1-38-32-43(53-34-41-18-8-9-19-46(41)47-20-10-11-21-48(47)53)35-54(42-27-26-39-16-6-7-17-40(39)33-42)59(38)62(44-28-30-51-49-22-12-14-24-55(49)60(2,3)57(51)36-44)45-29-31-52-50-23-13-15-25-56(50)61(4,5)58(52)37-45/h6-37H,1-5H3
• InChIKey: MTRNUIKULLCTKM-UHFFFAOYSA-N
• XLogP: 16.87
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.05
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine (CID 155623482) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine is Cc1cc(-c2cc3ccccc3c3ccccc23)cc(-c2ccc3ccccc3c2)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine?

The InChIKey is MTRNUIKULLCTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N/c1-38-32-43(53-34-41-18-8-9-19-46(41)47-20-10-11-21-48(47)53)35-54(42-27-26-39-16-6-7-17-40(39)33-42)59(38)62(44-28-30-51-49-22-12-14-24-55(49)60(2,3)57(51)36-44)45-29-31-52-50-23-13-15-25-56(50)61(4,5)58(52)37-45/h6-37H,1-5H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine?

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine has a molecular weight of 794.05 g/mol, XLogP of 16.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 155623482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).