10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine

C58H44N2 — CID 59221590

About 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine

10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine (PubChem CID 59221590) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine.

Molecular Properties

• Compound Name: 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
• PubChem CID: 59221590
• Molecular Formula: C58H44N2
• Molecular Weight: 769.00 g/mol
• Exact Mass: 768.35
• IUPAC Name: 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
• SMILES: Cc1ccc(N(c2ccc3ccccc3c2)c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C58H44N2/c1-39-25-30-45(31-26-39)60(46-34-27-40-15-7-8-16-42(40)37-46)57-52-22-11-9-20-50(52)56(51-21-10-12-23-53(51)57)41-28-32-44(33-29-41)59(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: YXJGOFJCFDDKPD-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 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine?

The IUPAC name of 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine (CID 59221590) is 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine.

What is the SMILES notation for 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine?

The canonical SMILES for 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine is Cc1ccc(N(c2ccc3ccccc3c2)c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccccc23)cc1.

What is the InChIKey of 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine?

The InChIKey is YXJGOFJCFDDKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-39-25-30-45(31-26-39)60(46-34-27-40-15-7-8-16-42(40)37-46)57-52-22-11-9-20-50(52)56(51-21-10-12-23-53(51)57)41-28-32-44(33-29-41)59(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 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine?

10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-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 10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine is sourced from PubChem (CID 59221590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).