N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C58H37NO — CID 169063947

About N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 169063947) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

• Compound Name: N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
• PubChem CID: 169063947
• Molecular Formula: C58H37NO
• Molecular Weight: 763.94 g/mol
• Exact Mass: 763.29
• IUPAC Name: N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
• SMILES: c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5oc6c7ccccc7ccc6c5c4)ccc3c3ccccc23)cc1
• InChI: InChI=1S/C58H37NO/c1-3-15-41(16-4-1)56-51-22-12-11-21-49(51)50-33-30-46(37-54(50)57(56)42-17-5-2-6-18-42)59(45-28-25-39(26-29-45)44-24-23-38-13-7-8-19-43(38)35-44)47-31-34-55-53(36-47)52-32-27-40-14-9-10-20-48(40)58(52)60-55/h1-37H
• InChIKey: DFIHWSIYTPCKHY-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-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?

The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 169063947) is N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?

The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5oc6c7ccccc7ccc6c5c4)ccc3c3ccccc23)cc1.

What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?

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

What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?

N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-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-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 169063947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).