3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole

C27H16BrIN4 — CID 155193026

About 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole

3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole (PubChem CID 155193026) has the molecular formula C27H16BrIN4 and a molecular weight of 603.26 g/mol. Its IUPAC name is 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole.

Molecular Properties

• Compound Name: 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole
• PubChem CID: 155193026
• Molecular Formula: C27H16BrIN4
• Molecular Weight: 603.26 g/mol
• Exact Mass: 601.96
• IUPAC Name: 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole
• SMILES: Brc1cc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2cc1I
• InChI: InChI=1S/C27H16BrIN4/c28-21-15-20-19-13-7-8-14-23(19)33(24(20)16-22(21)29)27-31-25(17-9-3-1-4-10-17)30-26(32-27)18-11-5-2-6-12-18/h1-16H
• InChIKey: VDEPCLJKPQUPOI-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.26
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole?

The IUPAC name of 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole (CID 155193026) is 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole.

What is the SMILES notation for 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole?

The canonical SMILES for 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole is Brc1cc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2cc1I.

What is the InChIKey of 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole?

The InChIKey is VDEPCLJKPQUPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16BrIN4/c28-21-15-20-19-13-7-8-14-23(19)33(24(20)16-22(21)29)27-31-25(17-9-3-1-4-10-17)30-26(32-27)18-11-5-2-6-12-18/h1-16H.

What are the key properties of 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole?

3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole has a molecular weight of 603.26 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-iodocarbazole is sourced from PubChem (CID 155193026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).