N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine

C58H37NO — CID 169063637

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 169063637) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 169063637
• Molecular Formula: C58H37NO
• Molecular Weight: 763.94 g/mol
• Exact Mass: 763.29
• IUPAC Name: N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
• SMILES: c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc6ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)ccc3c3ccccc23)cc1
• InChI: InChI=1S/C58H37NO/c1-3-17-41(18-4-1)55-49-25-12-11-24-47(49)48-35-32-43(37-51(48)56(55)42-19-5-2-6-20-42)38-29-33-44(34-30-38)59(52-26-13-21-39-15-7-9-22-45(39)52)53-27-14-28-54-57(53)50-36-31-40-16-8-10-23-46(40)58(50)60-54/h1-37H
• InChIKey: ZQQGEYQEODNYNG-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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine (CID 169063637) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc6ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)ccc3c3ccccc23)cc1.

What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine?

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

What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine?

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 169063637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).