dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane

C27H27N2O3P-2 — CID 22315064

IUPACdioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane
SMILESCCC(CC)(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)P(=O)([O-])[O-]
InChIInChI=1S/C27H29N2O3P/c1-3-26(4-2,33(30,31)32)25-20-29(21-28-25)27(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-21H,3-4H2,1-2H3,(H2,30,31,32)/p-2
InChIKeyVAGFEIFNKKXNGR-UHFFFAOYSA-L
MW458.50 g/mol
LogP4.65
Rot. Bonds8

About dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane

dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane (PubChem CID 22315064) has the molecular formula C27H27N2O3P-2 and a molecular weight of 458.50 g/mol. Its IUPAC name is dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane.

Molecular Properties

Compound Namedioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane
PubChem CID22315064
Molecular FormulaC27H27N2O3P-2
Molecular Weight458.50 g/mol
Exact Mass458.18
IUPAC Namedioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane
SMILESCCC(CC)(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)P(=O)([O-])[O-]
InChIInChI=1S/C27H29N2O3P/c1-3-26(4-2,33(30,31)32)25-20-29(21-28-25)27(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-21H,3-4H2,1-2H3,(H2,30,31,32)/p-2
InChIKeyVAGFEIFNKKXNGR-UHFFFAOYSA-L
XLogP4.65
TPSA81.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[diphenyl-(1-tritylimidazol-4-yl)methyl]phosphonic acid
CID 22315060
4-(diethoxyphosphorylmethyl)-1-tritylimidazole
CID 2763175
4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole
CID 156574711
sodium 3-(1-tritylimidazol-4-yl)propan-1-olate
CID 23682245
1-tritylimidazole-4-carboxylic acid
CID 10570117
4-(chloromethyl)-1-tritylimidazole
CID 2763176
2-(1-tritylimidazol-4-yl)acetaldehyde
CID 22254261
4-iodo-1-tritylimidazole;palladium
CID 174711966
4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole
CID 164901726
3-(1-tritylimidazol-4-yl)propanoate
CID 7408441
(1-tritylimidazol-4-yl)methyl 4-methylbenzenesulfonate
CID 22315066
4-(2-phenylbut-1-enyl)-1-tritylimidazole
CID 66625783

Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane?
The IUPAC name of dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane (CID 22315064) is dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane.
What is the SMILES notation for dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane?
The canonical SMILES for dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane is CCC(CC)(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)P(=O)([O-])[O-].
What is the InChIKey of dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane?
The InChIKey is VAGFEIFNKKXNGR-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H29N2O3P/c1-3-26(4-2,33(30,31)32)25-20-29(21-28-25)27(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-21H,3-4H2,1-2H3,(H2,30,31,32)/p-2.
What are the key properties of dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane?
dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane has a molecular weight of 458.50 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane is sourced from PubChem (CID 22315064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).