[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)

C25H22O2P2Tb+3 — CID 170659309

IUPAC[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
SMILESO=P(CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Tb+3]
InChIInChI=1S/C25H22O2P2.Tb/c26-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-29(27,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;/q;+3
InChIKeyDSXDGSFKXIEHBX-UHFFFAOYSA-N
MW575.32 g/mol
LogP4.97
Rot. Bonds6

About [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)

[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+) (PubChem CID 170659309) has the molecular formula C25H22O2P2Tb+3 and a molecular weight of 575.32 g/mol. Its IUPAC name is [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+).

Molecular Properties

Compound Name[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
PubChem CID170659309
Molecular FormulaC25H22O2P2Tb+3
Molecular Weight575.32 g/mol
Exact Mass575.03
IUPAC Name[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
SMILESO=P(CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Tb+3]
InChIInChI=1S/C25H22O2P2.Tb/c26-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-29(27,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;/q;+3
InChIKeyDSXDGSFKXIEHBX-UHFFFAOYSA-N
XLogP4.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.32
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259
1,3-bis[ethyl(phenyl)phosphoryl]benzene
CID 59816903
dichloronickel(2+);[ethyl(phenyl)phosphoryl]benzene
CID 88623036
2,5-bis(diphenylphosphorylmethyl)-1H-pyrrole
CID 102311609
1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
CID 164745970
1,3-bis(diphenylphosphorylmethyl)urea
CID 164746016
1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene
CID 2776719
diphenylphosphorylbenzene;terbium
CID 86595283
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
diphenylphosphorylazanide
CID 18705552
1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene
CID 44634324

Frequently Asked Questions

What is the IUPAC name of [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)?
The IUPAC name of [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+) (CID 170659309) is [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+).
What is the SMILES notation for [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)?
The canonical SMILES for [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+) is O=P(CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Tb+3].
What is the InChIKey of [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)?
The InChIKey is DSXDGSFKXIEHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2P2.Tb/c26-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)21-29(27,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;/q;+3.
What are the key properties of [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)?
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+) has a molecular weight of 575.32 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+) is sourced from PubChem (CID 170659309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).