5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole

C45H27N5Se — CID 164943690

About 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole

5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 164943690) has the molecular formula C45H27N5Se and a molecular weight of 716.71 g/mol. Its IUPAC name is 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 164943690
• Molecular Formula: C45H27N5Se
• Molecular Weight: 716.71 g/mol
• Exact Mass: 717.14
• IUPAC Name: 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc4c3[se]c3ccccc34)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
• InChI: InChI=1S/C45H27N5Se/c1-3-14-28(15-4-1)43-46-44(34-22-13-21-33-32-20-9-12-25-41(32)51-42(33)34)48-45(47-43)50-38-24-11-8-19-31(38)36-26-35-30-18-7-10-23-37(30)49(39(35)27-40(36)50)29-16-5-2-6-17-29/h1-27H
• InChIKey: HBXAIYDPAYHEHL-UHFFFAOYSA-N
• XLogP: 10.76
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.71
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 164943690) is 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole.

What is the SMILES notation for 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3cccc4c3[se]c3ccccc34)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.

What is the InChIKey of 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?

The InChIKey is HBXAIYDPAYHEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5Se/c1-3-14-28(15-4-1)43-46-44(34-22-13-21-33-32-20-9-12-25-41(32)51-42(33)34)48-45(47-43)50-38-24-11-8-19-31(38)36-26-35-30-18-7-10-23-37(30)49(39(35)27-40(36)50)29-16-5-2-6-17-29/h1-27H.

What are the key properties of 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?

5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole has a molecular weight of 716.71 g/mol, XLogP of 10.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 164943690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).