6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine

C26H31NOSi — CID 140873226

IUPAC6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine
SMILESCN(c1ccccc1[Si](C)(C)C)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C26H31NOSi/c1-26(2,3)20-14-10-12-18-19-13-11-16-22(25(19)28-24(18)20)27(4)21-15-8-9-17-23(21)29(5,6)7/h8-17H,1-7H3
InChIKeyVFEAKAHGULVEFJ-UHFFFAOYSA-N
MW401.63 g/mol
LogP7.20
Rot. Bonds3

About 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine

6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine (PubChem CID 140873226) has the molecular formula C26H31NOSi and a molecular weight of 401.63 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine
PubChem CID140873226
Molecular FormulaC26H31NOSi
Molecular Weight401.63 g/mol
Exact Mass401.22
IUPAC Name6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine
SMILESCN(c1ccccc1[Si](C)(C)C)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C26H31NOSi/c1-26(2,3)20-14-10-12-18-19-13-11-16-22(25(19)28-24(18)20)27(4)21-15-8-9-17-23(21)29(5,6)7/h8-17H,1-7H3
InChIKeyVFEAKAHGULVEFJ-UHFFFAOYSA-N
XLogP7.20
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.63
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978
6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
CID 134527976
6-tert-butyl-N-(2-cyclohexylphenyl)-N-methyldibenzofuran-4-amine
CID 134527983
6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651769
N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
CID 140873324
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527993
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
CID 134527975
N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651778
9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263285
N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine
CID 137416089

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine (CID 140873226) is 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine is CN(c1ccccc1[Si](C)(C)C)c1cccc2c1oc1c(C(C)(C)C)cccc12.
What is the InChIKey of 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine?
The InChIKey is VFEAKAHGULVEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NOSi/c1-26(2,3)20-14-10-12-18-19-13-11-16-22(25(19)28-24(18)20)27(4)21-15-8-9-17-23(21)29(5,6)7/h8-17H,1-7H3.
What are the key properties of 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine?
6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine has a molecular weight of 401.63 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 140873226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).