2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide

C55H44N2O2 — CID 142280782

About 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide

2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide (PubChem CID 142280782) has the molecular formula C55H44N2O2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide.

Molecular Properties

• Compound Name: 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
• PubChem CID: 142280782
• Molecular Formula: C55H44N2O2
• Molecular Weight: 764.97 g/mol
• Exact Mass: 764.34
• IUPAC Name: 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
• SMILES: Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cccc(C=O)c2C(=O)N(C)c2ccc(-c3ccccc3)cc2-c2ccccc2)c(C)c1
• InChI: InChI=1S/C55H44N2O2/c1-35-19-24-45(37(3)29-35)42-22-27-51-48(32-42)49-33-43(46-25-20-36(2)30-38(46)4)23-28-52(49)57(51)53-18-12-17-44(34-58)54(53)55(59)56(5)50-26-21-41(39-13-8-6-9-14-39)31-47(50)40-15-10-7-11-16-40/h6-34H,1-5H3
• InChIKey: LPRVQPTXPREQBD-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.97
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide?

The IUPAC name of 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide (CID 142280782) is 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide.

What is the SMILES notation for 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide?

The canonical SMILES for 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cccc(C=O)c2C(=O)N(C)c2ccc(-c3ccccc3)cc2-c2ccccc2)c(C)c1.

What is the InChIKey of 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide?

The InChIKey is LPRVQPTXPREQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2O2/c1-35-19-24-45(37(3)29-35)42-22-27-51-48(32-42)49-33-43(46-25-20-36(2)30-38(46)4)23-28-52(49)57(51)53-18-12-17-44(34-58)54(53)55(59)56(5)50-26-21-41(39-13-8-6-9-14-39)31-47(50)40-15-10-7-11-16-40/h6-34H,1-5H3.

What are the key properties of 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide?

2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide has a molecular weight of 764.97 g/mol, XLogP of 13.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide is sourced from PubChem (CID 142280782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).