[6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane

C36H34N2OSi — CID 163214388

IUPAC[6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
SMILESCC(C)Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)c3c2oc2ccccc23)ncc1[Si](C)(C)C
InChIInChI=1S/C36H34N2OSi/c1-23(2)20-24-21-29(37-22-34(24)40(3,4)5)27-18-19-32(35-28-14-8-11-17-33(28)39-36(27)35)38-30-15-9-6-12-25(30)26-13-7-10-16-31(26)38/h6-19,21-23H,20H2,1-5H3
InChIKeyBRAOBULWAUPNHQ-UHFFFAOYSA-N
MW538.77 g/mol
LogP9.49
Rot. Bonds5

About [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane

[6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane (PubChem CID 163214388) has the molecular formula C36H34N2OSi and a molecular weight of 538.77 g/mol. Its IUPAC name is [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
PubChem CID163214388
Molecular FormulaC36H34N2OSi
Molecular Weight538.77 g/mol
Exact Mass538.24
IUPAC Name[6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
SMILESCC(C)Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)c3c2oc2ccccc23)ncc1[Si](C)(C)C
InChIInChI=1S/C36H34N2OSi/c1-23(2)20-24-21-29(37-22-34(24)40(3,4)5)27-18-19-32(35-28-14-8-11-17-33(28)39-36(27)35)38-30-15-9-6-12-25(30)26-13-7-10-16-31(26)38/h6-19,21-23H,20H2,1-5H3
InChIKeyBRAOBULWAUPNHQ-UHFFFAOYSA-N
XLogP9.49
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.77
LogP ≤ 59.49
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

[6-(4-carbazol-9-ylnaphthalen-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 164706390
[6-(3-carbazol-9-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 139035258
9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164741937
trimethyl-[4-(2-methylpropyl)-6-phenanthren-1-yl-3-pyridinyl]silane
CID 156657793
5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162708849
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169038715
[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-(2-fluorophenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 154591931
[4-(5-butan-2-yl-4-methyl-2-pyridinyl)dibenzofuran-1-yl]-trimethylsilane
CID 164797005
iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164741877
[4-(4-butan-2-yl-5-methyl-2-pyridinyl)dibenzofuran-1-yl]-trimethylsilane
CID 164796829
4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038948

Frequently Asked Questions

What is the IUPAC name of [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane (CID 163214388) is [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane is CC(C)Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)c3c2oc2ccccc23)ncc1[Si](C)(C)C.
What is the InChIKey of [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
The InChIKey is BRAOBULWAUPNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N2OSi/c1-23(2)20-24-21-29(37-22-34(24)40(3,4)5)27-18-19-32(35-28-14-8-11-17-33(28)39-36(27)35)38-30-15-9-6-12-25(30)26-13-7-10-16-31(26)38/h6-19,21-23H,20H2,1-5H3.
What are the key properties of [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
[6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 538.77 g/mol, XLogP of 9.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-carbazol-9-yldibenzofuran-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 163214388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).