2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol

C54H56N2O4 — CID 153453888

About 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol (PubChem CID 153453888) has the molecular formula C54H56N2O4 and a molecular weight of 797.05 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol
• PubChem CID: 153453888
• Molecular Formula: C54H56N2O4
• Molecular Weight: 797.05 g/mol
• Exact Mass: 796.42
• IUPAC Name: 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol
• SMILES: Cc1cc(C2CCCCC2OCCCOC2CCCC(C)C2c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C54H56N2O4/c1-34-30-42(53(57)48(32-34)55-44-22-9-4-17-37(44)38-18-5-10-23-45(38)55)41-21-8-13-26-50(41)59-28-15-29-60-51-27-14-16-36(3)52(51)43-31-35(2)33-49(54(43)58)56-46-24-11-6-19-39(46)40-20-7-12-25-47(40)56/h4-7,9-12,17-20,22-25,30-33,36,41,50-52,57-58H,8,13-16,21,26-29H2,1-3H3
• InChIKey: KGRWUATVORZLFO-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.05
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol (CID 153453888) is 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol.

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

The canonical SMILES for 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol is Cc1cc(C2CCCCC2OCCCOC2CCCC(C)C2c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.

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

The InChIKey is KGRWUATVORZLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H56N2O4/c1-34-30-42(53(57)48(32-34)55-44-22-9-4-17-37(44)38-18-5-10-23-45(38)55)41-21-8-13-26-50(41)59-28-15-29-60-51-27-14-16-36(3)52(51)43-31-35(2)33-49(54(43)58)56-46-24-11-6-19-39(46)40-20-7-12-25-47(40)56/h4-7,9-12,17-20,22-25,30-33,36,41,50-52,57-58H,8,13-16,21,26-29H2,1-3H3.

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

2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol has a molecular weight of 797.05 g/mol, XLogP of 13.33, 10 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-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-3-methylcyclohexyl]oxypropoxy]cyclohexyl]-4-methylphenol is sourced from PubChem (CID 153453888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).