(E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine

C45H41N3Si2 — CID 18718784

IUPAC(E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine
SMILESC/C(=N\[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(/C(C)=N/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)n1C
InChIInChI=1S/C45H41N3Si2/c1-36(46-49(38-22-10-4-11-23-38,39-24-12-5-13-25-39)40-26-14-6-15-27-40)44-34-35-45(48(44)3)37(2)47-50(41-28-16-7-17-29-41,42-30-18-8-19-31-42)43-32-20-9-21-33-43/h4-35H,1-3H3/b46-36+,47-37+
InChIKeyLKHNGGKGCPFYFS-MWSRKQDVSA-N
MW680.02 g/mol
LogP5.98
Rot. Bonds10

About (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine

(E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine (PubChem CID 18718784) has the molecular formula C45H41N3Si2 and a molecular weight of 680.02 g/mol. Its IUPAC name is (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine.

Molecular Properties

Compound Name(E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine
PubChem CID18718784
Molecular FormulaC45H41N3Si2
Molecular Weight680.02 g/mol
Exact Mass679.28
IUPAC Name(E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine
SMILESC/C(=N\[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(/C(C)=N/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)n1C
InChIInChI=1S/C45H41N3Si2/c1-36(46-49(38-22-10-4-11-23-38,39-24-12-5-13-25-39)40-26-14-6-15-27-40)44-34-35-45(48(44)3)37(2)47-50(41-28-16-7-17-29-41,42-30-18-8-19-31-42)43-32-20-9-21-33-43/h4-35H,1-3H3/b46-36+,47-37+
InChIKeyLKHNGGKGCPFYFS-MWSRKQDVSA-N
XLogP5.98
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.02
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 59883865
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 172930887
1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine
CID 18718620
dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 20701761
dichloroiron;N-(2,6-dichlorophenyl)-1-[5-[N-(2,6-dichlorophenyl)-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 24940390
(1R)-3-methyl-1-triphenylsilylbut-2-en-1-ol
CID 15723090
triphenyl-[(triphenylsilylimino-lambda4-sulfanylidene)amino]silane
CID 15164642
(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane
CID 59270862
ethane;phenol
CID 161156308
4-[dimethyl(phenyl)silyl]phenol
CID 12582127
[(E)-4-methylpent-2-en-2-yl]-triphenylsilane
CID 13332877
hydroxy(triphenyl)silane
CID 139058622

Frequently Asked Questions

What is the IUPAC name of (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine?
The IUPAC name of (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine (CID 18718784) is (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine.
What is the SMILES notation for (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine?
The canonical SMILES for (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine is C/C(=N\[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(/C(C)=N/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)n1C.
What is the InChIKey of (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine?
The InChIKey is LKHNGGKGCPFYFS-MWSRKQDVSA-N. The full InChI is InChI=1S/C45H41N3Si2/c1-36(46-49(38-22-10-4-11-23-38,39-24-12-5-13-25-39)40-26-14-6-15-27-40)44-34-35-45(48(44)3)37(2)47-50(41-28-16-7-17-29-41,42-30-18-8-19-31-42)43-32-20-9-21-33-43/h4-35H,1-3H3/b46-36+,47-37+.
What are the key properties of (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine?
(E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine has a molecular weight of 680.02 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[1-methyl-5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]pyrrol-2-yl]-N-triphenylsilylethanimine is sourced from PubChem (CID 18718784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).