2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C51H73NOSi — CID 154031906

About 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 154031906) has the molecular formula C51H73NOSi and a molecular weight of 744.24 g/mol. Its IUPAC name is 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

• Compound Name: 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
• PubChem CID: 154031906
• Molecular Formula: C51H73NOSi
• Molecular Weight: 744.24 g/mol
• Exact Mass: 743.55
• IUPAC Name: 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
• SMILES: CCCCCCCC[Si](C)(C)c1cc(C)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c1
• InChI: InChI=1S/C51H73NOSi/c1-16-17-18-19-20-21-26-54(14,15)40-28-35(2)27-36(29-40)43-30-39(51(12,13)34-48(3,4)5)33-46(47(43)53)52-44-31-37(49(6,7)8)22-24-41(44)42-25-23-38(32-45(42)52)50(9,10)11/h22-25,27-33,53H,16-21,26,34H2,1-15H3
• InChIKey: JDMCMJDNOHHIPN-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 25.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.24
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

The IUPAC name of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 154031906) is 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

What is the SMILES notation for 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

The canonical SMILES for 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CCCCCCCC[Si](C)(C)c1cc(C)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c1.

What is the InChIKey of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

The InChIKey is JDMCMJDNOHHIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H73NOSi/c1-16-17-18-19-20-21-26-54(14,15)40-28-35(2)27-36(29-40)43-30-39(51(12,13)34-48(3,4)5)33-46(47(43)53)52-44-31-37(49(6,7)8)22-24-41(44)42-25-23-38(32-45(42)52)50(9,10)11/h22-25,27-33,53H,16-21,26,34H2,1-15H3.

What are the key properties of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 744.24 g/mol, XLogP of 15.05, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[dimethyl(octyl)silyl]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 154031906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).