2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

C54H38N6O2P2 — CID 58399984

About 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 58399984) has the molecular formula C54H38N6O2P2 and a molecular weight of 864.89 g/mol. Its IUPAC name is 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

• Compound Name: 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
• PubChem CID: 58399984
• Molecular Formula: C54H38N6O2P2
• Molecular Weight: 864.89 g/mol
• Exact Mass: 864.25
• IUPAC Name: 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
• SMILES: O=P1(n2c3ccccc3c3ccc4c5ccccc5n(P5(=O)N(c6ccccc6)c6ccccc6N5c5ccccc5)c4c32)N(c2ccccc2)c2ccccc2N1c1ccccc1
• InChI: InChI=1S/C54H38N6O2P2/c61-63(55(39-21-5-1-6-22-39)49-33-17-18-34-50(49)56(63)40-23-7-2-8-24-40)59-47-31-15-13-29-43(47)45-37-38-46-44-30-14-16-32-48(44)60(54(46)53(45)59)64(62)57(41-25-9-3-10-26-41)51-35-19-20-36-52(51)58(64)42-27-11-4-12-28-42/h1-38H
• InChIKey: NNZJCHBSUOHFEX-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 56.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.89
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The IUPAC name of 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 58399984) is 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

What is the SMILES notation for 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The canonical SMILES for 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(n2c3ccccc3c3ccc4c5ccccc5n(P5(=O)N(c6ccccc6)c6ccccc6N5c5ccccc5)c4c32)N(c2ccccc2)c2ccccc2N1c1ccccc1.

What is the InChIKey of 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

The InChIKey is NNZJCHBSUOHFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N6O2P2/c61-63(55(39-21-5-1-6-22-39)49-33-17-18-34-50(49)56(63)40-23-7-2-8-24-40)59-47-31-15-13-29-43(47)45-37-38-46-44-30-14-16-32-48(44)60(54(46)53(45)59)64(62)57(41-25-9-3-10-26-41)51-35-19-20-36-52(51)58(64)42-27-11-4-12-28-42/h1-38H.

What are the key properties of 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?

2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 864.89 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[12-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 58399984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).