(4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane

C24H39NSi — CID 101394548

IUPAC(4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)N1C=CC(c2ccccc2)(C(C)(C)C)C=C1
InChIInChI=1S/C24H39NSi/c1-19(2)26(20(3)4,21(5)6)25-17-15-24(16-18-25,23(7,8)9)22-13-11-10-12-14-22/h10-21H,1-9H3
InChIKeyOMDKHIOPYDNSGK-UHFFFAOYSA-N
MW369.67 g/mol
LogP7.49
Rot. Bonds5

About (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane

(4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane (PubChem CID 101394548) has the molecular formula C24H39NSi and a molecular weight of 369.67 g/mol. Its IUPAC name is (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane
PubChem CID101394548
Molecular FormulaC24H39NSi
Molecular Weight369.67 g/mol
Exact Mass369.29
IUPAC Name(4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)N1C=CC(c2ccccc2)(C(C)(C)C)C=C1
InChIInChI=1S/C24H39NSi/c1-19(2)26(20(3)4,21(5)6)25-17-15-24(16-18-25,23(7,8)9)22-13-11-10-12-14-22/h10-21H,1-9H3
InChIKeyOMDKHIOPYDNSGK-UHFFFAOYSA-N
XLogP7.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.67
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane?
The IUPAC name of (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane (CID 101394548) is (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane.
What is the SMILES notation for (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane?
The canonical SMILES for (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)N1C=CC(c2ccccc2)(C(C)(C)C)C=C1.
What is the InChIKey of (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane?
The InChIKey is OMDKHIOPYDNSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NSi/c1-19(2)26(20(3)4,21(5)6)25-17-15-24(16-18-25,23(7,8)9)22-13-11-10-12-14-22/h10-21H,1-9H3.
What are the key properties of (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane?
(4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane has a molecular weight of 369.67 g/mol, XLogP of 7.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane is sourced from PubChem (CID 101394548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).