N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine

C64H44N2Se — CID 59245718

About N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine

N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine (PubChem CID 59245718) has the molecular formula C64H44N2Se and a molecular weight of 920.03 g/mol. Its IUPAC name is N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 59245718
• Molecular Formula: C64H44N2Se
• Molecular Weight: 920.03 g/mol
• Exact Mass: 920.27
• IUPAC Name: N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7[se]c7ccccc78)cc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C64H44N2Se/c1-3-13-45(14-4-1)46-25-27-47(28-26-46)48-29-37-54(38-30-48)65(53-17-5-2-6-18-53)55-39-31-49(32-40-55)50-33-41-56(42-34-50)66(62-23-11-16-51-15-7-8-19-58(51)62)57-43-35-52(36-44-57)59-21-12-22-61-60-20-9-10-24-63(60)67-64(59)61/h1-44H
• InChIKey: AGGNPTWMLVOQGS-UHFFFAOYSA-N
• XLogP: 17.81
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.03
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine (CID 59245718) is N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7[se]c7ccccc78)cc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine?

The InChIKey is AGGNPTWMLVOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2Se/c1-3-13-45(14-4-1)46-25-27-47(28-26-46)48-29-37-54(38-30-48)65(53-17-5-2-6-18-53)55-39-31-49(32-40-55)50-33-41-56(42-34-50)66(62-23-11-16-51-15-7-8-19-58(51)62)57-43-35-52(36-44-57)59-21-12-22-61-60-20-9-10-24-63(60)67-64(59)61/h1-44H.

What are the key properties of N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine?

N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 920.03 g/mol, XLogP of 17.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 59245718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).