5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline

C25H17BrN2 — CID 144754650

About 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline

5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline (PubChem CID 144754650) has the molecular formula C25H17BrN2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline.

Molecular Properties

• Compound Name: 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline
• PubChem CID: 144754650
• Molecular Formula: C25H17BrN2
• Molecular Weight: 425.33 g/mol
• Exact Mass: 424.06
• IUPAC Name: 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline
• SMILES: Nc1cc(Br)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3
• InChI: InChI=1S/C25H17BrN2/c26-16-9-11-23(21(27)14-16)28-22-8-4-3-7-19(22)25-20-13-15-5-1-2-6-17(15)18(20)10-12-24(25)28/h1-12,14H,13,27H2
• InChIKey: ICSLOJPGSKYVBG-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 30.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.33
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline?

The IUPAC name of 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline (CID 144754650) is 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline.

What is the SMILES notation for 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline?

The canonical SMILES for 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline is Nc1cc(Br)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3.

What is the InChIKey of 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline?

The InChIKey is ICSLOJPGSKYVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2/c26-16-9-11-23(21(27)14-16)28-22-8-4-3-7-19(22)25-20-13-15-5-1-2-6-17(15)18(20)10-12-24(25)28/h1-12,14H,13,27H2.

What are the key properties of 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline?

5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline has a molecular weight of 425.33 g/mol, XLogP of 6.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline is sourced from PubChem (CID 144754650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).