6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide

C48H31NO2P2 — CID 154599609

About 6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide

6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide (PubChem CID 154599609) has the molecular formula C48H31NO2P2 and a molecular weight of 715.73 g/mol. Its IUPAC name is 6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-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-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
• PubChem CID: 154599609
• Molecular Formula: C48H31NO2P2
• Molecular Weight: 715.73 g/mol
• Exact Mass: 715.18
• IUPAC Name: 6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-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)c2cc(-c3ccccc3)cc3c2-c2c1cc(-c1ccccc1)cc2P3(=O)c1cccc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C48H31NO2P2/c50-52(37-20-8-3-9-21-37)43-27-34(32-15-4-1-5-16-32)29-45-47(43)48-44(52)28-35(33-17-6-2-7-18-33)30-46(48)53(45,51)38-22-14-19-36(31-38)49-41-25-12-10-23-39(41)40-24-11-13-26-42(40)49/h1-31H
• InChIKey: QYEZIVJXFGZZRQ-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 39.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.73
LogP ≤ 5	9.69
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-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-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-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide (CID 154599609) is 6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-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-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-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-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-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)c2cc(-c3ccccc3)cc3c2-c2c1cc(-c1ccccc1)cc2P3(=O)c1cccc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-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 QYEZIVJXFGZZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2P2/c50-52(37-20-8-3-9-21-37)43-27-34(32-15-4-1-5-16-32)29-45-47(43)48-44(52)28-35(33-17-6-2-7-18-33)30-46(48)53(45,51)38-22-14-19-36(31-38)49-41-25-12-10-23-39(41)40-24-11-13-26-42(40)49/h1-31H.

What are the key properties of 6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?

6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-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 715.73 g/mol, XLogP of 9.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-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 154599609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).