N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline

C54H37N2OP — CID 121310285

About N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline

N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 121310285) has the molecular formula C54H37N2OP and a molecular weight of 760.88 g/mol. Its IUPAC name is N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

• Compound Name: N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline
• PubChem CID: 121310285
• Molecular Formula: C54H37N2OP
• Molecular Weight: 760.88 g/mol
• Exact Mass: 760.26
• IUPAC Name: N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline
• SMILES: O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C54H37N2OP/c57-58(46-18-8-3-9-19-46)53-23-13-11-21-48(53)50-36-52-49(37-54(50)58)47-20-10-12-22-51(47)56(52)45-34-28-41(29-35-45)40-26-32-44(33-27-40)55(42-16-6-2-7-17-42)43-30-24-39(25-31-43)38-14-4-1-5-15-38/h1-37H
• InChIKey: BHUAELZOYUKIJZ-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 25.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.88
LogP ≤ 5	13.21
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 N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline?

The IUPAC name of N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline (CID 121310285) is N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline.

What is the SMILES notation for N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline?

The canonical SMILES for N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline is O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline?

The InChIKey is BHUAELZOYUKIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N2OP/c57-58(46-18-8-3-9-19-46)53-23-13-11-21-48(53)50-36-52-49(37-54(50)58)47-20-10-12-22-51(47)56(52)45-34-28-41(29-35-45)40-26-32-44(33-27-40)55(42-16-6-2-7-17-42)43-30-24-39(25-31-43)38-14-4-1-5-15-38/h1-37H.

What are the key properties of N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline?

N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 760.88 g/mol, XLogP of 13.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 121310285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).