trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane

C30H37NOSi — CID 164796927

IUPACtrimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane
SMILESCC1(C)CC(c2ccnc(-c3ccc([Si](C)(C)C)c4c3oc3ccccc34)c2)CC(C)(C)C1
InChIInChI=1S/C30H37NOSi/c1-29(2)17-21(18-30(3,4)19-29)20-14-15-31-24(16-20)22-12-13-26(33(5,6)7)27-23-10-8-9-11-25(23)32-28(22)27/h8-16,21H,17-19H2,1-7H3
InChIKeyXLOLERZZWHUEKM-UHFFFAOYSA-N
MW455.72 g/mol
LogP8.51
Rot. Bonds3

About trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane

trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane (PubChem CID 164796927) has the molecular formula C30H37NOSi and a molecular weight of 455.72 g/mol. Its IUPAC name is trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane
PubChem CID164796927
Molecular FormulaC30H37NOSi
Molecular Weight455.72 g/mol
Exact Mass455.26
IUPAC Nametrimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane
SMILESCC1(C)CC(c2ccnc(-c3ccc([Si](C)(C)C)c4c3oc3ccccc34)c2)CC(C)(C)C1
InChIInChI=1S/C30H37NOSi/c1-29(2)17-21(18-30(3,4)19-29)20-14-15-31-24(16-20)22-12-13-26(33(5,6)7)27-23-10-8-9-11-25(23)32-28(22)27/h8-16,21H,17-19H2,1-7H3
InChIKeyXLOLERZZWHUEKM-UHFFFAOYSA-N
XLogP8.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.72
LogP ≤ 58.51
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

4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
iridium;trimethyl-[4-[4-(2,2,5,5-tetramethylcyclopentyl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164797041
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
[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
CID 155608457
trimethyl-[4-(5-propan-2-yl-2-pyridinyl)dibenzofuran-1-yl]silane
CID 155608517
4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine
CID 156655181
2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine
CID 166574273
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile
CID 171576900
[4-(5-butan-2-yl-4-methyl-2-pyridinyl)dibenzofuran-1-yl]-trimethylsilane
CID 164797005
[4-(4-butan-2-yl-5-methyl-2-pyridinyl)dibenzofuran-1-yl]-trimethylsilane
CID 164796829

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane?
The IUPAC name of trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane (CID 164796927) is trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane.
What is the SMILES notation for trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane?
The canonical SMILES for trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane is CC1(C)CC(c2ccnc(-c3ccc([Si](C)(C)C)c4c3oc3ccccc34)c2)CC(C)(C)C1.
What is the InChIKey of trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane?
The InChIKey is XLOLERZZWHUEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NOSi/c1-29(2)17-21(18-30(3,4)19-29)20-14-15-31-24(16-20)22-12-13-26(33(5,6)7)27-23-10-8-9-11-25(23)32-28(22)27/h8-16,21H,17-19H2,1-7H3.
What are the key properties of trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane?
trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane has a molecular weight of 455.72 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane is sourced from PubChem (CID 164796927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).