[tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate

C29H29NOSi — CID 101150600

IUPAC[tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate
SMILESCC(C)(C)[Si](O/C(=N/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NOSi/c1-29(2,3)32(26-20-12-6-13-21-26,27-22-14-7-15-23-27)31-28(24-16-8-4-9-17-24)30-25-18-10-5-11-19-25/h4-23H,1-3H3/b30-28+
InChIKeyLNAJMUACDXAEAL-SJCQXOIGSA-N
MW435.64 g/mol
LogP6.34
Rot. Bonds5

About [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate

[tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate (PubChem CID 101150600) has the molecular formula C29H29NOSi and a molecular weight of 435.64 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate.

Molecular Properties

Compound Name[tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate
PubChem CID101150600
Molecular FormulaC29H29NOSi
Molecular Weight435.64 g/mol
Exact Mass435.20
IUPAC Name[tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate
SMILESCC(C)(C)[Si](O/C(=N/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NOSi/c1-29(2,3)32(26-20-12-6-13-21-26,27-22-14-7-15-23-27)31-28(24-16-8-4-9-17-24)30-25-18-10-5-11-19-25/h4-23H,1-3H3/b30-28+
InChIKeyLNAJMUACDXAEAL-SJCQXOIGSA-N
XLogP6.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.64
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
tert-butyl-(1-methoxyethenoxy)-diphenylsilane
CID 10662951
(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid
CID 162310940
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
(Z)-1-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-1-phenyl-N-trimethylsilylmethanimine
CID 140756079
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 174721555
bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
CID 139812746
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
[tert-butyl(diphenyl)silyl] pent-4-ynoate
CID 101226817

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate?
The IUPAC name of [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate (CID 101150600) is [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate.
What is the SMILES notation for [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate?
The canonical SMILES for [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate is CC(C)(C)[Si](O/C(=N/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate?
The InChIKey is LNAJMUACDXAEAL-SJCQXOIGSA-N. The full InChI is InChI=1S/C29H29NOSi/c1-29(2,3)32(26-20-12-6-13-21-26,27-22-14-7-15-23-27)31-28(24-16-8-4-9-17-24)30-25-18-10-5-11-19-25/h4-23H,1-3H3/b30-28+.
What are the key properties of [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate?
[tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate has a molecular weight of 435.64 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate is sourced from PubChem (CID 101150600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).