2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine

C58H41N3 — CID 59766176

About 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine

2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine (PubChem CID 59766176) has the molecular formula C58H41N3 and a molecular weight of 779.99 g/mol. Its IUPAC name is 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine.

Molecular Properties

• Compound Name: 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine
• PubChem CID: 59766176
• Molecular Formula: C58H41N3
• Molecular Weight: 779.99 g/mol
• Exact Mass: 779.33
• IUPAC Name: 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine
• SMILES: c1ccc(Nc2ccc3c(N(c4ccccc4)c4ccccc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
• InChI: InChI=1S/C58H41N3/c1-5-22-45(23-6-1)59-46-34-36-53-54(39-46)57(44-33-32-41-18-13-14-20-43(41)38-44)52-37-35-50(40-55(52)58(53)61(48-26-9-3-10-27-48)49-28-11-4-12-29-49)60(47-24-7-2-8-25-47)56-31-17-21-42-19-15-16-30-51(42)56/h1-40,59H
• InChIKey: JWDVJLSSQNNMSR-UHFFFAOYSA-N
• XLogP: 16.65
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.99
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine?

The IUPAC name of 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine (CID 59766176) is 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine.

What is the SMILES notation for 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine?

The canonical SMILES for 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine is c1ccc(Nc2ccc3c(N(c4ccccc4)c4ccccc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.

What is the InChIKey of 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine?

The InChIKey is JWDVJLSSQNNMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3/c1-5-22-45(23-6-1)59-46-34-36-53-54(39-46)57(44-33-32-41-18-13-14-20-43(41)38-44)52-37-35-50(40-55(52)58(53)61(48-26-9-3-10-27-48)49-28-11-4-12-29-49)60(47-24-7-2-8-25-47)56-31-17-21-42-19-15-16-30-51(42)56/h1-40,59H.

What are the key properties of 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine?

2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine has a molecular weight of 779.99 g/mol, XLogP of 16.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine is sourced from PubChem (CID 59766176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).