2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide

C41H26F6N2O2 — CID 142280555

About 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide

2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide (PubChem CID 142280555) has the molecular formula C41H26F6N2O2 and a molecular weight of 692.66 g/mol. Its IUPAC name is 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide
• PubChem CID: 142280555
• Molecular Formula: C41H26F6N2O2
• Molecular Weight: 692.66 g/mol
• Exact Mass: 692.19
• IUPAC Name: 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide
• SMILES: CN(C(=O)c1c(C=O)cccc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C41H26F6N2O2/c1-48(30-18-14-26(15-19-30)25-8-3-2-4-9-25)39(51)38-28(24-50)10-7-13-37(38)49-35-12-6-5-11-32(35)33-22-27(16-21-36(33)49)31-20-17-29(40(42,43)44)23-34(31)41(45,46)47/h2-24H,1H3
• InChIKey: MEBAFHILLISVTF-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.66
LogP ≤ 5	11.24
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-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide?

The IUPAC name of 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide (CID 142280555) is 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide.

What is the SMILES notation for 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide?

The canonical SMILES for 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide is CN(C(=O)c1c(C=O)cccc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide?

The InChIKey is MEBAFHILLISVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26F6N2O2/c1-48(30-18-14-26(15-19-30)25-8-3-2-4-9-25)39(51)38-28(24-50)10-7-13-37(38)49-35-12-6-5-11-32(35)33-22-27(16-21-36(33)49)31-20-17-29(40(42,43)44)23-34(31)41(45,46)47/h2-24H,1H3.

What are the key properties of 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide?

2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide has a molecular weight of 692.66 g/mol, XLogP of 11.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 142280555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).