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

C44H28N7OP — CID 58518349

IUPAC9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole
SMILESO=P(c1ccc(-n2c3ccccc3c3ccccc32)nn1)(c1ccc(-n2c3ccccc3c3ccccc32)nn1)n1c2ccccc2c2ccccc21
InChIInChI=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
InChIKeyDZEXGVWEWHWAMP-UHFFFAOYSA-N
MW701.73 g/mol
LogP9.35
Rot. Bonds5

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 Name9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole
PubChem CID58518349
Molecular FormulaC44H28N7OP
Molecular Weight701.73 g/mol
Exact Mass701.21
IUPAC Name9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole
SMILESO=P(c1ccc(-n2c3ccccc3c3ccccc32)nn1)(c1ccc(-n2c3ccccc3c3ccccc32)nn1)n1c2ccccc2c2ccccc21
InChIInChI=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
InChIKeyDZEXGVWEWHWAMP-UHFFFAOYSA-N
XLogP9.35
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.73
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).