2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole

C60H39NSe — CID 153489213

About 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole

2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole (PubChem CID 153489213) has the molecular formula C60H39NSe and a molecular weight of 852.94 g/mol. Its IUPAC name is 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole
• PubChem CID: 153489213
• Molecular Formula: C60H39NSe
• Molecular Weight: 852.94 g/mol
• Exact Mass: 853.22
• IUPAC Name: 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole
• SMILES: c1ccc(-c2cccc(-c3cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-c4cccc5c4[se]c4ccccc45)c3)c2)cc1
• InChI: InChI=1S/C60H39NSe/c1-4-15-40(16-5-1)43-21-12-22-44(33-43)48-34-49(36-50(35-48)52-26-14-27-55-54-25-10-11-28-59(54)62-60(52)55)47-29-31-53-56-38-46(42-19-8-3-9-20-42)30-32-57(56)61(58(53)39-47)51-24-13-23-45(37-51)41-17-6-2-7-18-41/h1-39H
• InChIKey: SXEXYKJTQSICJO-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.94
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole?

The IUPAC name of 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole (CID 153489213) is 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole.

What is the SMILES notation for 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole?

The canonical SMILES for 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-c4cccc5c4[se]c4ccccc45)c3)c2)cc1.

What is the InChIKey of 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole?

The InChIKey is SXEXYKJTQSICJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NSe/c1-4-15-40(16-5-1)43-21-12-22-44(33-43)48-34-49(36-50(35-48)52-26-14-27-55-54-25-10-11-28-59(54)62-60(52)55)47-29-31-53-56-38-46(42-19-8-3-9-20-42)30-32-57(56)61(58(53)39-47)51-24-13-23-45(37-51)41-17-6-2-7-18-41/h1-39H.

What are the key properties of 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole?

2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole has a molecular weight of 852.94 g/mol, XLogP of 16.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 153489213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).