2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol

C40H33N3O2 — CID 160943850

About 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol

2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol (PubChem CID 160943850) has the molecular formula C40H33N3O2 and a molecular weight of 587.72 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol
• PubChem CID: 160943850
• Molecular Formula: C40H33N3O2
• Molecular Weight: 587.72 g/mol
• Exact Mass: 587.26
• IUPAC Name: 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol
• SMILES: Cc1cc(CNCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C40H33N3O2/c1-25-19-27(39(44)37(21-25)42-33-15-7-3-11-29(33)30-12-4-8-16-34(30)42)23-41-24-28-20-26(2)22-38(40(28)45)43-35-17-9-5-13-31(35)32-14-6-10-18-36(32)43/h3-22,41,44-45H,23-24H2,1-2H3
• InChIKey: UKVSRMILZATDAQ-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 62.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.72
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol?

The IUPAC name of 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol (CID 160943850) is 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol.

What is the SMILES notation for 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol?

The canonical SMILES for 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol is Cc1cc(CNCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol?

The InChIKey is UKVSRMILZATDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N3O2/c1-25-19-27(39(44)37(21-25)42-33-15-7-3-11-29(33)30-12-4-8-16-34(30)42)23-41-24-28-20-26(2)22-38(40(28)45)43-35-17-9-5-13-31(35)32-14-6-10-18-36(32)43/h3-22,41,44-45H,23-24H2,1-2H3.

What are the key properties of 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol?

2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol has a molecular weight of 587.72 g/mol, XLogP of 9.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol is sourced from PubChem (CID 160943850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).