2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine

C29H40N2O3Si — CID 71282066

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine
SMILESCOc1ccc(C/N=C2\CCCc3cc4c(cc32)cc(CO[Si](C)(C)C(C)(C)C)n4C)c(OC)c1
InChIInChI=1S/C29H40N2O3Si/c1-29(2,3)35(7,8)34-19-23-14-22-15-25-20(16-27(22)31(23)4)10-9-11-26(25)30-18-21-12-13-24(32-5)17-28(21)33-6/h12-17H,9-11,18-19H2,1-8H3/b30-26+
InChIKeyDDXRTQCWJAEIEW-URGPHPNLSA-N
MW492.74 g/mol
LogP7.04
Rot. Bonds7

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine (PubChem CID 71282066) has the molecular formula C29H40N2O3Si and a molecular weight of 492.74 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine
PubChem CID71282066
Molecular FormulaC29H40N2O3Si
Molecular Weight492.74 g/mol
Exact Mass492.28
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine
SMILESCOc1ccc(C/N=C2\CCCc3cc4c(cc32)cc(CO[Si](C)(C)C(C)(C)C)n4C)c(OC)c1
InChIInChI=1S/C29H40N2O3Si/c1-29(2,3)35(7,8)34-19-23-14-22-15-25-20(16-27(22)31(23)4)10-9-11-26(25)30-18-21-12-13-24(32-5)17-28(21)33-6/h12-17H,9-11,18-19H2,1-8H3/b30-26+
InChIKeyDDXRTQCWJAEIEW-URGPHPNLSA-N
XLogP7.04
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.74
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylindol-5-yl]-N-[(2,4-dimethoxyphenyl)methyl]butan-1-imine
CID 89421765
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydrocyclohepta[f]indol-5-one
CID 71285516
15-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethyl-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-4-one
CID 172733671
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol
CID 71285552
methyl 15-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-10,14-dimethyl-8-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-4-carboxylate
CID 172692778
tert-butyl-[(2-fluoro-5-methoxyphenyl)methoxy]-dimethylsilane
CID 140698939
1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-9-(hydroxymethyl)-8-methyl-2-oxo-5,6-dihydroindolo[6,5-h]quinoline-3-carboxylic acid
CID 71285508
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 11440428
8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethyl-3,4-dihydro-2H-oxepino[3,2-f]indol-5-one
CID 71282247
8-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-1-benzazepin-5-imine
CID 172859203
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde
CID 89423009
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol
CID 78049395

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine (CID 71282066) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine is COc1ccc(C/N=C2\CCCc3cc4c(cc32)cc(CO[Si](C)(C)C(C)(C)C)n4C)c(OC)c1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine?
The InChIKey is DDXRTQCWJAEIEW-URGPHPNLSA-N. The full InChI is InChI=1S/C29H40N2O3Si/c1-29(2,3)35(7,8)34-19-23-14-22-15-25-20(16-27(22)31(23)4)10-9-11-26(25)30-18-21-12-13-24(32-5)17-28(21)33-6/h12-17H,9-11,18-19H2,1-8H3/b30-26+.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine has a molecular weight of 492.74 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-7,8-dihydro-6H-benzo[f]indol-5-imine is sourced from PubChem (CID 71282066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).