9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole

C44H28N7OP — CID 58518349

About 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole

9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole (PubChem CID 58518349) has the molecular formula C44H28N7OP and a molecular weight of 701.73 g/mol. Its IUPAC name is 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole
• PubChem CID: 58518349
• Molecular Formula: C44H28N7OP
• Molecular Weight: 701.73 g/mol
• Exact Mass: 701.21
• IUPAC Name: 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole
• SMILES: O=P(c1ccc(-n2c3ccccc3c3ccccc32)nn1)(c1ccc(-n2c3ccccc3c3ccccc32)nn1)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C44H28N7OP/c52-53(51-39-23-11-5-17-33(39)34-18-6-12-24-40(34)51,43-27-25-41(45-47-43)49-35-19-7-1-13-29(35)30-14-2-8-20-36(30)49)44-28-26-42(46-48-44)50-37-21-9-3-15-31(37)32-16-4-10-22-38(32)50/h1-28H
• InChIKey: DZEXGVWEWHWAMP-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 83.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.73
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole?

The IUPAC name of 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole (CID 58518349) is 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole.

What is the SMILES notation for 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole?

The canonical SMILES for 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole is O=P(c1ccc(-n2c3ccccc3c3ccccc32)nn1)(c1ccc(-n2c3ccccc3c3ccccc32)nn1)n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole?

The InChIKey is DZEXGVWEWHWAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N7OP/c52-53(51-39-23-11-5-17-33(39)34-18-6-12-24-40(34)51,43-27-25-41(45-47-43)49-35-19-7-1-13-29(35)30-14-2-8-20-36(30)49)44-28-26-42(46-48-44)50-37-21-9-3-15-31(37)32-16-4-10-22-38(32)50/h1-28H.

What are the key properties of 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole?

9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole has a molecular weight of 701.73 g/mol, XLogP of 9.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole is sourced from PubChem (CID 58518349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).