[4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine

C46H29N7 — CID 121420476

About [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine

[4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine (PubChem CID 121420476) has the molecular formula C46H29N7 and a molecular weight of 679.79 g/mol. Its IUPAC name is [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine.

Molecular Properties

• Compound Name: [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine
• PubChem CID: 121420476
• Molecular Formula: C46H29N7
• Molecular Weight: 679.79 g/mol
• Exact Mass: 679.25
• IUPAC Name: [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine
• SMILES: [H]/N=C/c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
• InChI: InChI=1S/C46H29N7/c47-28-29-21-23-30(24-22-29)44-48-45(52-40-18-8-3-13-34(40)35-14-4-9-19-41(35)52)50-46(49-44)53-42-20-10-5-15-36(42)37-27-31(25-26-43(37)53)51-38-16-6-1-11-32(38)33-12-2-7-17-39(33)51/h1-28,47H/b47-28+
• InChIKey: IASOTZNGMJZKSP-DIPIWMKSSA-N
• XLogP: 10.83
• TPSA: 77.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.79
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine?

The IUPAC name of [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine (CID 121420476) is [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine.

What is the SMILES notation for [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine?

The canonical SMILES for [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine is [H]/N=C/c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.

What is the InChIKey of [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine?

The InChIKey is IASOTZNGMJZKSP-DIPIWMKSSA-N. The full InChI is InChI=1S/C46H29N7/c47-28-29-21-23-30(24-22-29)44-48-45(52-40-18-8-3-13-34(40)35-14-4-9-19-41(35)52)50-46(49-44)53-42-20-10-5-15-36(42)37-27-31(25-26-43(37)53)51-38-16-6-1-11-32(38)33-12-2-7-17-39(33)51/h1-28,47H/b47-28+.

What are the key properties of [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine?

[4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine has a molecular weight of 679.79 g/mol, XLogP of 10.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]methanimine is sourced from PubChem (CID 121420476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).