(E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine

C34H33N3Si — CID 18718686

IUPAC(E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2ccc(/C=N/[Si](c3ccccc3)(c3ccccc3)c3ccccc3)n2C)c(C)c1
InChIInChI=1S/C34H33N3Si/c1-26-22-27(2)34(28(3)23-26)35-24-29-20-21-30(37(29)4)25-36-38(31-14-8-5-9-15-31,32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-25H,1-4H3/b35-24+,36-25+
InChIKeyXUELPJNCPDJOKS-YKTJOGQJSA-N
MW511.75 g/mol
LogP5.79
Rot. Bonds7

About (E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine

(E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine (PubChem CID 18718686) has the molecular formula C34H33N3Si and a molecular weight of 511.75 g/mol. Its IUPAC name is (E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound Name(E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
PubChem CID18718686
Molecular FormulaC34H33N3Si
Molecular Weight511.75 g/mol
Exact Mass511.24
IUPAC Name(E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2ccc(/C=N/[Si](c3ccccc3)(c3ccccc3)c3ccccc3)n2C)c(C)c1
InChIInChI=1S/C34H33N3Si/c1-26-22-27(2)34(28(3)23-26)35-24-29-20-21-30(37(29)4)25-36-38(31-14-8-5-9-15-31,32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-25H,1-4H3/b35-24+,36-25+
InChIKeyXUELPJNCPDJOKS-YKTJOGQJSA-N
XLogP5.79
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.75
LogP ≤ 55.79
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

1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718632
dibromoiron;1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718659
N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine
CID 18718594
carbanide;iron(2+);N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 22968339
N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
CID 139193639
N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine
CID 50855999
1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 158184309
CID 136825502
CID 136825502
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
CID 132595705
3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
CID 139291560
N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine
CID 126095341

Frequently Asked Questions

What is the IUPAC name of (E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of (E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine (CID 18718686) is (E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for (E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for (E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/N=C/c2ccc(/C=N/[Si](c3ccccc3)(c3ccccc3)c3ccccc3)n2C)c(C)c1.
What is the InChIKey of (E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is XUELPJNCPDJOKS-YKTJOGQJSA-N. The full InChI is InChI=1S/C34H33N3Si/c1-26-22-27(2)34(28(3)23-26)35-24-29-20-21-30(37(29)4)25-36-38(31-14-8-5-9-15-31,32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-25H,1-4H3/b35-24+,36-25+.
What are the key properties of (E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine?
(E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 511.75 g/mol, XLogP of 5.79, 7 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)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 18718686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).