[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene

C24H20INO2P2 — CID 149077573

IUPAC[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene
SMILESO=P(c1ccccc1)(c1ccccc1)N(I)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20INO2P2/c25-26(29(27,21-13-5-1-6-14-21)22-15-7-2-8-16-22)30(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyQPJYHNUFKHHOLR-UHFFFAOYSA-N
MW543.28 g/mol
LogP5.50
Rot. Bonds6

About [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene

[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene (PubChem CID 149077573) has the molecular formula C24H20INO2P2 and a molecular weight of 543.28 g/mol. Its IUPAC name is [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene
PubChem CID149077573
Molecular FormulaC24H20INO2P2
Molecular Weight543.28 g/mol
Exact Mass543.00
IUPAC Name[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene
SMILESO=P(c1ccccc1)(c1ccccc1)N(I)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20INO2P2/c25-26(29(27,21-13-5-1-6-14-21)22-15-7-2-8-16-22)30(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyQPJYHNUFKHHOLR-UHFFFAOYSA-N
XLogP5.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.28
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 24891588
diphenylphosphorylbenzene;terbium
CID 86595283
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
diphenylphosphorylazanide
CID 18705552
phenylphosphonic acid;phosphane
CID 157219344
CID 66766975
CID 66766975
phenylphosphonic acid;terbium
CID 175289814
diphenylphosphinic acid chloride
CID 53401992
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
lithium diphenylphosphinate
CID 23680317
copper dioxido-oxo-phenyl-λ5-phosphane
CID 68627267
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703

Frequently Asked Questions

What is the IUPAC name of [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene?
The IUPAC name of [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene (CID 149077573) is [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene.
What is the SMILES notation for [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene?
The canonical SMILES for [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene is O=P(c1ccccc1)(c1ccccc1)N(I)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene?
The InChIKey is QPJYHNUFKHHOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20INO2P2/c25-26(29(27,21-13-5-1-6-14-21)22-15-7-2-8-16-22)30(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene?
[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene has a molecular weight of 543.28 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene is sourced from PubChem (CID 149077573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).