2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol

C45H36N4O2 — CID 122555202

About 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol

2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol (PubChem CID 122555202) has the molecular formula C45H36N4O2 and a molecular weight of 664.81 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol
• PubChem CID: 122555202
• Molecular Formula: C45H36N4O2
• Molecular Weight: 664.81 g/mol
• Exact Mass: 664.28
• IUPAC Name: 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol
• SMILES: Cc1cc(CN(Cc2ccccn2)Cc2cccc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C45H36N4O2/c1-30-25-32(45(51)43(26-30)49-40-21-8-4-17-36(40)37-18-5-9-22-41(37)49)28-47(29-33-14-10-11-24-46-33)27-31-13-12-23-42(44(31)50)48-38-19-6-2-15-34(38)35-16-3-7-20-39(35)48/h2-26,50-51H,27-29H2,1H3
• InChIKey: LOZWGGMQEJHEMD-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 66.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.81
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol?

The IUPAC name of 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol (CID 122555202) is 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol.

What is the SMILES notation for 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol?

The canonical SMILES for 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol is Cc1cc(CN(Cc2ccccn2)Cc2cccc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol?

The InChIKey is LOZWGGMQEJHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4O2/c1-30-25-32(45(51)43(26-30)49-40-21-8-4-17-36(40)37-18-5-9-22-41(37)49)28-47(29-33-14-10-11-24-46-33)27-31-13-12-23-42(44(31)50)48-38-19-6-2-15-34(38)35-16-3-7-20-39(35)48/h2-26,50-51H,27-29H2,1H3.

What are the key properties of 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol?

2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol has a molecular weight of 664.81 g/mol, XLogP of 10.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol is sourced from PubChem (CID 122555202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).