2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide

C43H30N4O2 — CID 166989455

About 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide

2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide (PubChem CID 166989455) has the molecular formula C43H30N4O2 and a molecular weight of 634.74 g/mol. Its IUPAC name is 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
• PubChem CID: 166989455
• Molecular Formula: C43H30N4O2
• Molecular Weight: 634.74 g/mol
• Exact Mass: 634.24
• IUPAC Name: 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
• SMILES: Cc1cccc(-n2c3cc(-c4ccncc4)ccc3c3ccc(-c4ccncc4)cc32)c1C(=O)N(C=O)c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C43H30N4O2/c1-29-7-5-12-39(42(29)43(49)46(28-48)36-11-6-10-33(25-36)30-8-3-2-4-9-30)47-40-26-34(31-17-21-44-22-18-31)13-15-37(40)38-16-14-35(27-41(38)47)32-19-23-45-24-20-32/h2-28H,1H3
• InChIKey: OFOHWSIKBZROOW-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 68.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.74
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?

The IUPAC name of 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide (CID 166989455) is 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide.

What is the SMILES notation for 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?

The canonical SMILES for 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide is Cc1cccc(-n2c3cc(-c4ccncc4)ccc3c3ccc(-c4ccncc4)cc32)c1C(=O)N(C=O)c1cccc(-c2ccccc2)c1.

What is the InChIKey of 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?

The InChIKey is OFOHWSIKBZROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4O2/c1-29-7-5-12-39(42(29)43(49)46(28-48)36-11-6-10-33(25-36)30-8-3-2-4-9-30)47-40-26-34(31-17-21-44-22-18-31)13-15-37(40)38-16-14-35(27-41(38)47)32-19-23-45-24-20-32/h2-28H,1H3.

What are the key properties of 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide?

2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide has a molecular weight of 634.74 g/mol, XLogP of 9.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide is sourced from PubChem (CID 166989455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).