[6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane

C30H32N2OSi — CID 140719967

IUPAC[6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane
SMILESCc1cc2c(oc3ccc(-c4cc(CC(C)C)c([Si](C)(C)c5ccccc5)cn4)cc32)c(C)n1
InChIInChI=1S/C30H32N2OSi/c1-19(2)14-23-17-27(31-18-29(23)34(5,6)24-10-8-7-9-11-24)22-12-13-28-25(16-22)26-15-20(3)32-21(4)30(26)33-28/h7-13,15-19H,14H2,1-6H3
InChIKeyPVBQBBOJCSZBAN-UHFFFAOYSA-N
MW464.69 g/mol
LogP6.68
Rot. Bonds5

About [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane

[6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane (PubChem CID 140719967) has the molecular formula C30H32N2OSi and a molecular weight of 464.69 g/mol. Its IUPAC name is [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane
PubChem CID140719967
Molecular FormulaC30H32N2OSi
Molecular Weight464.69 g/mol
Exact Mass464.23
IUPAC Name[6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane
SMILESCc1cc2c(oc3ccc(-c4cc(CC(C)C)c([Si](C)(C)c5ccccc5)cn4)cc32)c(C)n1
InChIInChI=1S/C30H32N2OSi/c1-19(2)14-23-17-27(31-18-29(23)34(5,6)24-10-8-7-9-11-24)22-12-13-28-25(16-22)26-15-20(3)32-21(4)30(26)33-28/h7-13,15-19H,14H2,1-6H3
InChIKeyPVBQBBOJCSZBAN-UHFFFAOYSA-N
XLogP6.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-phenylsilane
CID 140720405
dimethyl-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-6-yl)-3-pyridinyl]-phenylsilane
CID 140720059
6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 163648243
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
CID 162708883
[6-(1,3-dimethyl-[1]benzofuro[3,2-c]pyridin-8-yl)-3-pyridinyl]-trimethylsilane
CID 140720101
[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 163956322
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;dimethyl-[6-(7-methyl-3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-phenylsilane;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 158963238
4-(2-methylpropyl)-5-(trideuteriomethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-2-yl]pyridine
CID 155612380
[6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 163214388
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655
iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 140719874

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane?
The IUPAC name of [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane (CID 140719967) is [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane.
What is the SMILES notation for [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane?
The canonical SMILES for [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane is Cc1cc2c(oc3ccc(-c4cc(CC(C)C)c([Si](C)(C)c5ccccc5)cn4)cc32)c(C)n1.
What is the InChIKey of [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane?
The InChIKey is PVBQBBOJCSZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2OSi/c1-19(2)14-23-17-27(31-18-29(23)34(5,6)24-10-8-7-9-11-24)22-12-13-28-25(16-22)26-15-20(3)32-21(4)30(26)33-28/h7-13,15-19H,14H2,1-6H3.
What are the key properties of [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane?
[6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane has a molecular weight of 464.69 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-dimethyl-[1]benzofuro[2,3-c]pyridin-6-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane is sourced from PubChem (CID 140719967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).