2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide

C60H42O4P4 — CID 89097809

IUPAC2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide
SMILESO=P1(c2ccccc2)C(c2ccc(P(=O)(c3ccc(C4=Cc5ccccc5P4(=O)c4ccccc4)cc3)c3ccc(C4=Cc5ccccc5[P@]4(=O)c4ccccc4)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C60H42O4P4/c61-65(52-34-28-43(29-35-52)58-40-46-16-10-13-25-55(46)66(58,62)49-19-4-1-5-20-49,53-36-30-44(31-37-53)59-41-47-17-11-14-26-56(47)67(59,63)50-21-6-2-7-22-50)54-38-32-45(33-39-54)60-42-48-18-12-15-27-57(48)68(60,64)51-23-8-3-9-24-51/h1-42H/t65?,66-,67?,68?/m1/s1
InChIKeyJITXCFHKDRXBPL-LTSFNVEQSA-N
MW950.89 g/mol
LogP11.80
Rot. Bonds9

About 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide

2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide (PubChem CID 89097809) has the molecular formula C60H42O4P4 and a molecular weight of 950.89 g/mol. Its IUPAC name is 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide.

Molecular Properties

Compound Name2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide
PubChem CID89097809
Molecular FormulaC60H42O4P4
Molecular Weight950.89 g/mol
Exact Mass950.20
IUPAC Name2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide
SMILESO=P1(c2ccccc2)C(c2ccc(P(=O)(c3ccc(C4=Cc5ccccc5P4(=O)c4ccccc4)cc3)c3ccc(C4=Cc5ccccc5[P@]4(=O)c4ccccc4)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C60H42O4P4/c61-65(52-34-28-43(29-35-52)58-40-46-16-10-13-25-55(46)66(58,62)49-19-4-1-5-20-49,53-36-30-44(31-37-53)59-41-47-17-11-14-26-56(47)67(59,63)50-21-6-2-7-22-50)54-38-32-45(33-39-54)60-42-48-18-12-15-27-57(48)68(60,64)51-23-8-3-9-24-51/h1-42H/t65?,66-,67?,68?/m1/s1
InChIKeyJITXCFHKDRXBPL-LTSFNVEQSA-N
XLogP11.80
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.89
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide?
The IUPAC name of 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide (CID 89097809) is 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide.
What is the SMILES notation for 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide?
The canonical SMILES for 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide is O=P1(c2ccccc2)C(c2ccc(P(=O)(c3ccc(C4=Cc5ccccc5P4(=O)c4ccccc4)cc3)c3ccc(C4=Cc5ccccc5[P@]4(=O)c4ccccc4)cc3)cc2)=Cc2ccccc21.
What is the InChIKey of 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide?
The InChIKey is JITXCFHKDRXBPL-LTSFNVEQSA-N. The full InChI is InChI=1S/C60H42O4P4/c61-65(52-34-28-43(29-35-52)58-40-46-16-10-13-25-55(46)66(58,62)49-19-4-1-5-20-49,53-36-30-44(31-37-53)59-41-47-17-11-14-26-56(47)67(59,63)50-21-6-2-7-22-50)54-38-32-45(33-39-54)60-42-48-18-12-15-27-57(48)68(60,64)51-23-8-3-9-24-51/h1-42H/t65?,66-,67?,68?/m1/s1.
What are the key properties of 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide?
2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide has a molecular weight of 950.89 g/mol, XLogP of 11.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(1R)-1-oxo-1-phenylphosphindol-2-yl]phenyl]-[4-(1-oxo-1-phenylphosphindol-2-yl)phenyl]phosphoryl]phenyl]-1-phenylphosphindole 1-oxide is sourced from PubChem (CID 89097809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).