9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C33H26N4 — CID 163535760

About 9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole

9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 163535760) has the molecular formula C33H26N4 and a molecular weight of 478.60 g/mol. Its IUPAC name is 9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 163535760
• Molecular Formula: C33H26N4
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.22
• IUPAC Name: 9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: C1=CC(c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)CCC1
• InChI: InChI=1S/C33H26N4/c1-3-12-23(13-4-1)31-34-32(24-14-5-2-6-15-24)36-33(35-31)25-16-11-17-26(22-25)37-29-20-9-7-18-27(29)28-19-8-10-21-30(28)37/h1,3-5,7-14,16-22,24H,2,6,15H2
• InChIKey: DWVBRKRVDMMUMR-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 163535760) is 9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

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

The canonical SMILES for 9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is C1=CC(c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)CCC1.

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

The InChIKey is DWVBRKRVDMMUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4/c1-3-12-23(13-4-1)31-34-32(24-14-5-2-6-15-24)36-33(35-31)25-16-11-17-26(22-25)37-29-20-9-7-18-27(29)28-19-8-10-21-30(28)37/h1,3-5,7-14,16-22,24H,2,6,15H2.

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

9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 478.60 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 163535760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).