9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole

C26H20ClN5 — CID 130217525

About 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole

9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole (PubChem CID 130217525) has the molecular formula C26H20ClN5 and a molecular weight of 437.93 g/mol. Its IUPAC name is 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole
• PubChem CID: 130217525
• Molecular Formula: C26H20ClN5
• Molecular Weight: 437.93 g/mol
• Exact Mass: 437.14
• IUPAC Name: 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole
• SMILES: ClC1=NC(c2ccccc2)NC(c2ccc(-n3c4ccccc4c4ccccc43)cn2)N1
• InChI: InChI=1S/C26H20ClN5/c27-26-30-24(17-8-2-1-3-9-17)29-25(31-26)21-15-14-18(16-28-21)32-22-12-6-4-10-19(22)20-11-5-7-13-23(20)32/h1-16,24-25,29H,(H,30,31)
• InChIKey: LALSYNZJKDYTRN-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 54.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.93
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole?

The IUPAC name of 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole (CID 130217525) is 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole.

What is the SMILES notation for 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole?

The canonical SMILES for 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole is ClC1=NC(c2ccccc2)NC(c2ccc(-n3c4ccccc4c4ccccc43)cn2)N1.

What is the InChIKey of 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole?

The InChIKey is LALSYNZJKDYTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5/c27-26-30-24(17-8-2-1-3-9-17)29-25(31-26)21-15-14-18(16-28-21)32-22-12-6-4-10-19(22)20-11-5-7-13-23(20)32/h1-16,24-25,29H,(H,30,31).

What are the key properties of 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole?

9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole has a molecular weight of 437.93 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole is sourced from PubChem (CID 130217525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).