[(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane

C30H33N2O2PSi — CID 10006633

IUPAC[(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane
SMILESCc1ccc(C(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)P2(=O)N(C)CCN2C)cc1
InChIInChI=1S/C30H33N2O2PSi/c1-25-19-21-26(22-20-25)30(35(33)31(2)23-24-32(35)3)34-36(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22,30H,23-24H2,1-3H3
InChIKeyGJAMVRWQGBGFCL-UHFFFAOYSA-N
MW512.67 g/mol
LogP4.75
Rot. Bonds7

About [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane

[(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane (PubChem CID 10006633) has the molecular formula C30H33N2O2PSi and a molecular weight of 512.67 g/mol. Its IUPAC name is [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane.

Molecular Properties

Compound Name[(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane
PubChem CID10006633
Molecular FormulaC30H33N2O2PSi
Molecular Weight512.67 g/mol
Exact Mass512.20
IUPAC Name[(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane
SMILESCc1ccc(C(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)P2(=O)N(C)CCN2C)cc1
InChIInChI=1S/C30H33N2O2PSi/c1-25-19-21-26(22-20-25)30(35(33)31(2)23-24-32(35)3)34-36(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22,30H,23-24H2,1-3H3
InChIKeyGJAMVRWQGBGFCL-UHFFFAOYSA-N
XLogP4.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.67
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 7127648
(3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one
CID 57284837
[bis(4-methylphenyl)-phenylsilyl]-bis(4-methylphenyl)-phenylsilane
CID 5077893
(4-methylphenyl)-diphenyl-triphenylsilylsilane
CID 4518674
[[(2S,4S,5R)-3,4-dimethyl-2-[(R)-(4-methylphenyl)-trimethylsilyloxymethyl]-5-phenyl-1,3,2λ5-oxazaphospholidin-2-ylidene]amino]-trimethylsilane
CID 10367657
oxomercury;toluene
CID 174717666
triphenyl-[4-[1,4,4-tris(4-triphenylsilyloxyphenyl)butyl]phenoxy]silane
CID 139887823
aniline;1-methyl-4-propan-2-ylbenzene
CID 19435769
1,3-dimethyl-7-[2-[4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]ethyl]purine-2,6-dione
CID 3087871
[2-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)prop-2-enyl]-dimethyl-phenylsilane
CID 154718296
benzene;bis(1,4-xylene)
CID 159472747

Frequently Asked Questions

What is the IUPAC name of [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane?
The IUPAC name of [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane (CID 10006633) is [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane.
What is the SMILES notation for [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane?
The canonical SMILES for [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane is Cc1ccc(C(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)P2(=O)N(C)CCN2C)cc1.
What is the InChIKey of [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane?
The InChIKey is GJAMVRWQGBGFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N2O2PSi/c1-25-19-21-26(22-20-25)30(35(33)31(2)23-24-32(35)3)34-36(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22,30H,23-24H2,1-3H3.
What are the key properties of [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane?
[(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane has a molecular weight of 512.67 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,3-dimethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-yl)-(4-methylphenyl)methoxy]-triphenylsilane is sourced from PubChem (CID 10006633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).