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

C45H30N2Se — CID 140744291

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

12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole (PubChem CID 140744291) has the molecular formula C45H30N2Se and a molecular weight of 677.71 g/mol. Its IUPAC name is 12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
• PubChem CID: 140744291
• Molecular Formula: C45H30N2Se
• Molecular Weight: 677.71 g/mol
• Exact Mass: 678.16
• IUPAC Name: 12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6c(c5)[se]c5ccccc56)c34)cc21
• InChI: InChI=1S/C45H30N2Se/c1-45(2)36-15-7-3-11-29(36)30-21-19-27(25-37(30)45)46-39-17-9-5-14-35(39)43-40(46)24-23-34-31-12-4-8-16-38(31)47(44(34)43)28-20-22-33-32-13-6-10-18-41(32)48-42(33)26-28/h3-26H,1-2H3
• InChIKey: QTOPQAZGGKQZQK-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-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole?

The IUPAC name of 12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole (CID 140744291) is 12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole.

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

The canonical SMILES for 12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6c(c5)[se]c5ccccc56)c34)cc21.

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

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

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

12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-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-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 140744291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).