N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine

C58H44N2 — CID 59221508

About N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine

N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine (PubChem CID 59221508) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine
• PubChem CID: 59221508
• Molecular Formula: C58H44N2
• Molecular Weight: 769.00 g/mol
• Exact Mass: 768.35
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine
• SMILES: Cc1ccc(N(c2ccc(-c3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C58H44N2/c1-39-25-30-44(31-26-39)59(46-34-27-40-15-7-8-16-42(40)37-46)45-32-28-41(29-33-45)56-50-20-9-11-22-52(50)57(53-23-12-10-21-51(53)56)60(43-17-5-4-6-18-43)47-35-36-49-48-19-13-14-24-54(48)58(2,3)55(49)38-47/h4-38H,1-3H3
• InChIKey: ROQKHHYPNBMQSV-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.00
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine (CID 59221508) is N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine is Cc1ccc(N(c2ccc(-c3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine?

The InChIKey is ROQKHHYPNBMQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-39-25-30-44(31-26-39)59(46-34-27-40-15-7-8-16-42(40)37-46)45-32-28-41(29-33-45)56-50-20-9-11-22-52(50)57(53-23-12-10-21-51(53)56)60(43-17-5-4-6-18-43)47-35-36-49-48-19-13-14-24-54(48)58(2,3)55(49)38-47/h4-38H,1-3H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine?

N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine has a molecular weight of 769.00 g/mol, XLogP of 16.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine is sourced from PubChem (CID 59221508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).