6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide

C36H23NO2P2 — CID 154599606

About 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide

6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide (PubChem CID 154599606) has the molecular formula C36H23NO2P2 and a molecular weight of 563.53 g/mol. Its IUPAC name is 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide.

Molecular Properties

• Compound Name: 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
• PubChem CID: 154599606
• Molecular Formula: C36H23NO2P2
• Molecular Weight: 563.53 g/mol
• Exact Mass: 563.12
• IUPAC Name: 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
• SMILES: O=P1(c2ccccc2)c2cccc3c2-c2c1cccc2P3(=O)c1ccccc1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C36H23NO2P2/c38-40(24-12-2-1-3-13-24)31-20-10-22-33-35(31)36-32(40)21-11-23-34(36)41(33,39)30-19-9-8-18-29(30)37-27-16-6-4-14-25(27)26-15-5-7-17-28(26)37/h1-23H
• InChIKey: ROIUHCVGLBZWSR-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 39.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.53
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?

The IUPAC name of 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide (CID 154599606) is 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide.

What is the SMILES notation for 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?

The canonical SMILES for 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide is O=P1(c2ccccc2)c2cccc3c2-c2c1cccc2P3(=O)c1ccccc1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?

The InChIKey is ROIUHCVGLBZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO2P2/c38-40(24-12-2-1-3-13-24)31-20-10-22-33-35(31)36-32(40)21-11-23-34(36)41(33,39)30-19-9-8-18-29(30)37-27-16-6-4-14-25(27)26-15-5-7-17-28(26)37/h1-23H.

What are the key properties of 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?

6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide has a molecular weight of 563.53 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-carbazol-9-ylphenyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide is sourced from PubChem (CID 154599606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).