8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane

C47H59NSi — CID 146681841

IUPAC8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane
SMILESCC[Si](C#CC#CC#CC#Cc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cncc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1)(CC)CC
InChIInChI=1S/C47H59NSi/c1-16-49(17-2,18-3)26-24-22-20-19-21-23-25-41-42(35-27-37(44(4,5)6)31-38(28-35)45(7,8)9)33-48-34-43(41)36-29-39(46(10,11)12)32-40(30-36)47(13,14)15/h27-34H,16-18H2,1-15H3
InChIKeyFHNCYTKDMVWHLN-UHFFFAOYSA-N
MW666.08 g/mol
LogP12.02
Rot. Bonds5

About 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane

8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane (PubChem CID 146681841) has the molecular formula C47H59NSi and a molecular weight of 666.08 g/mol. Its IUPAC name is 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane.

Molecular Properties

Compound Name8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane
PubChem CID146681841
Molecular FormulaC47H59NSi
Molecular Weight666.08 g/mol
Exact Mass665.44
IUPAC Name8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane
SMILESCC[Si](C#CC#CC#CC#Cc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cncc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1)(CC)CC
InChIInChI=1S/C47H59NSi/c1-16-49(17-2,18-3)26-24-22-20-19-21-23-25-41-42(35-27-37(44(4,5)6)31-38(28-35)45(7,8)9)33-48-34-43(41)36-29-39(46(10,11)12)32-40(30-36)47(13,14)15/h27-34H,16-18H2,1-15H3
InChIKeyFHNCYTKDMVWHLN-UHFFFAOYSA-N
XLogP12.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.08
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[48-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaynyl]-3,5-bis(3,5-ditert-butylphenyl)pyridine
CID 146681874
12-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]dodeca-1,3,5,7,9,11-hexaynyl-tri(propan-2-yl)silane
CID 146681851
triethyl(12-triethylsilyldodeca-1,3,5,7,9,11-hexaynyl)silane
CID 134885307
triethyl(20-triethylsilylicosa-1,3,5,7,9,11,13,15,17,19-decaynyl)silane
CID 134977085
triethyl(10-triethylsilyldeca-1,3,5,7,9-pentaynyl)silane
CID 134978035
3-tert-butyl-5-(2-methylbutan-2-yl)pyridine
CID 130358152
3,5-bis(4-tert-butylphenyl)-4-ethynylpyridine
CID 146681888
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
5-[2,6-dichloro-4-(3,5-ditert-butylphenyl)phenyl]pyrimidine
CID 171757261
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
2-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 132506214
2-(3,5-ditert-butylphenyl)pyrazine
CID 175590155

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane?
The IUPAC name of 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane (CID 146681841) is 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane.
What is the SMILES notation for 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane?
The canonical SMILES for 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane is CC[Si](C#CC#CC#CC#Cc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cncc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1)(CC)CC.
What is the InChIKey of 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane?
The InChIKey is FHNCYTKDMVWHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H59NSi/c1-16-49(17-2,18-3)26-24-22-20-19-21-23-25-41-42(35-27-37(44(4,5)6)31-38(28-35)45(7,8)9)33-48-34-43(41)36-29-39(46(10,11)12)32-40(30-36)47(13,14)15/h27-34H,16-18H2,1-15H3.
What are the key properties of 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane?
8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane has a molecular weight of 666.08 g/mol, XLogP of 12.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octa-1,3,5,7-tetraynyl-triethylsilane is sourced from PubChem (CID 146681841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).