N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine

C58H37NO — CID 169063612

About N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine

N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine (PubChem CID 169063612) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine
• PubChem CID: 169063612
• Molecular Formula: C58H37NO
• Molecular Weight: 763.94 g/mol
• Exact Mass: 763.29
• IUPAC Name: N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine
• SMILES: c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc5ccccc5c4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)ccc3c3ccccc23)cc1
• InChI: InChI=1S/C58H37NO/c1-3-18-40(19-4-1)55-49-26-12-11-24-46(49)47-35-33-44(37-52(47)56(55)41-20-5-2-6-21-41)59(43-32-30-38-16-7-8-22-42(38)36-43)53-28-14-13-25-48(53)50-27-15-29-54-57(50)51-34-31-39-17-9-10-23-45(39)58(51)60-54/h1-37H
• InChIKey: IGYZAHSUZJAVGS-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.94
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-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine?

The IUPAC name of N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine (CID 169063612) is N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine.

What is the SMILES notation for N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine?

The canonical SMILES for N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc5ccccc5c4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)ccc3c3ccccc23)cc1.

What is the InChIKey of N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine?

The InChIKey is IGYZAHSUZJAVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-18-40(19-4-1)55-49-26-12-11-24-46(49)47-35-33-44(37-52(47)56(55)41-20-5-2-6-21-41)59(43-32-30-38-16-7-8-22-42(38)36-43)53-28-14-13-25-48(53)50-27-15-29-54-57(50)51-34-31-39-17-9-10-23-45(39)58(51)60-54/h1-37H.

What are the key properties of N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine?

N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine has a molecular weight of 763.94 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-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169063612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).