12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole

C45H30N2Se — CID 140744289

About 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole

12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole (PubChem CID 140744289) has the molecular formula C45H30N2Se and a molecular weight of 677.71 g/mol. Its IUPAC name is 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole
• PubChem CID: 140744289
• Molecular Formula: C45H30N2Se
• Molecular Weight: 677.71 g/mol
• Exact Mass: 678.16
• IUPAC Name: 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6[se]c7ccccc7c6c5)c34)ccc21
• InChI: InChI=1S/C45H30N2Se/c1-45(2)36-15-7-3-11-29(36)34-25-27(19-22-37(34)45)46-39-17-9-5-14-33(39)43-40(46)23-21-32-30-12-4-8-16-38(30)47(44(32)43)28-20-24-42-35(26-28)31-13-6-10-18-41(31)48-42/h3-26H,1-2H3
• InChIKey: YHYFXYFPHIYDEO-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.71
LogP ≤ 5	11.55
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 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole?

The IUPAC name of 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole (CID 140744289) is 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole.

What is the SMILES notation for 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole?

The canonical SMILES for 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6[se]c7ccccc7c6c5)c34)ccc21.

What is the InChIKey of 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole?

The InChIKey is YHYFXYFPHIYDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2Se/c1-45(2)36-15-7-3-11-29(36)34-25-27(19-22-37(34)45)46-39-17-9-5-14-33(39)43-40(46)23-21-32-30-12-4-8-16-38(30)47(44(32)43)28-20-24-42-35(26-28)31-13-6-10-18-41(31)48-42/h3-26H,1-2H3.

What are the key properties of 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole?

12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole has a molecular weight of 677.71 g/mol, XLogP of 11.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 140744289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).