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

C46H46N4O2 — CID 156674673

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

2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol (PubChem CID 156674673) has the molecular formula C46H46N4O2 and a molecular weight of 686.90 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol
• PubChem CID: 156674673
• Molecular Formula: C46H46N4O2
• Molecular Weight: 686.90 g/mol
• Exact Mass: 686.36
• IUPAC Name: 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol
• SMILES: CCN(CC)CCN(Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O)Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O
• InChI: InChI=1S/C46H46N4O2/c1-5-47(6-2)23-24-48(29-33-25-31(3)27-43(45(33)51)49-39-19-11-7-15-35(39)36-16-8-12-20-40(36)49)30-34-26-32(4)28-44(46(34)52)50-41-21-13-9-17-37(41)38-18-10-14-22-42(38)50/h7-22,25-28,51-52H,5-6,23-24,29-30H2,1-4H3
• InChIKey: VRFARMZRBPVNKQ-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 56.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.90
LogP ≤ 5	10.25
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-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol?

The IUPAC name of 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol (CID 156674673) is 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol.

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

The canonical SMILES for 2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol is CCN(CC)CCN(Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O)Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O.

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

The InChIKey is VRFARMZRBPVNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N4O2/c1-5-47(6-2)23-24-48(29-33-25-31(3)27-43(45(33)51)49-39-19-11-7-15-35(39)36-16-8-12-20-40(36)49)30-34-26-32(4)28-44(46(34)52)50-41-21-13-9-17-37(41)38-18-10-14-22-42(38)50/h7-22,25-28,51-52H,5-6,23-24,29-30H2,1-4H3.

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

2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol has a molecular weight of 686.90 g/mol, XLogP of 10.25, 11 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-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol is sourced from PubChem (CID 156674673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).