5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

C55H37N6OP — CID 134535931

About 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 134535931) has the molecular formula C55H37N6OP and a molecular weight of 828.92 g/mol. Its IUPAC name is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

• Compound Name: 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
• PubChem CID: 134535931
• Molecular Formula: C55H37N6OP
• Molecular Weight: 828.92 g/mol
• Exact Mass: 828.28
• IUPAC Name: 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
• SMILES: O=P1(c2ccccc2)N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2N1c1ccccc1
• InChI: InChI=1S/C55H37N6OP/c62-63(45-27-14-5-15-28-45)60(43-23-10-3-11-24-43)49-34-32-42(37-51(49)61(63)44-25-12-4-13-26-44)41-31-33-48-47(36-41)52-46-29-17-16-18-38(46)30-35-50(52)59(48)55-57-53(39-19-6-1-7-20-39)56-54(58-55)40-21-8-2-9-22-40/h1-37H
• InChIKey: ICQGLGKPDSCVFT-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 67.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.92
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 134535931) is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

What is the SMILES notation for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The canonical SMILES for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2ccccc2)N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2N1c1ccccc1.

What is the InChIKey of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The InChIKey is ICQGLGKPDSCVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N6OP/c62-63(45-27-14-5-15-28-45)60(43-23-10-3-11-24-43)49-34-32-42(37-51(49)61(63)44-25-12-4-13-26-44)41-31-33-48-47(36-41)52-46-29-17-16-18-38(46)30-35-50(52)59(48)55-57-53(39-19-6-1-7-20-39)56-54(58-55)40-21-8-2-9-22-40/h1-37H.

What are the key properties of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 828.92 g/mol, XLogP of 13.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazol-10-yl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 134535931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).