CID 22412824

C27H43N3OSi — CID 22412824

IUPAC—
SMILESCCCCCCCc1ccc(-c2ccc(O[Si]CC(C)CCC(C)CCCC)nn2)nc1
InChIInChI=1S/C27H43N3OSi/c1-5-7-9-10-11-13-24-16-17-25(28-20-24)26-18-19-27(30-29-26)31-32-21-23(4)15-14-22(3)12-8-6-2/h16-20,22-23H,5-15,21H2,1-4H3
InChIKeyOOWKNVLQDCIANO-UHFFFAOYSA-N
MW453.75 g/mol
LogP7.71
Rot. Bonds17

About CID 22412824

CID 22412824 (PubChem CID 22412824) has the molecular formula C27H43N3OSi and a molecular weight of 453.75 g/mol.

Molecular Properties

Compound NameCID 22412824
PubChem CID22412824
Molecular FormulaC27H43N3OSi
Molecular Weight453.75 g/mol
Exact Mass453.32
IUPAC Name—
SMILESCCCCCCCc1ccc(-c2ccc(O[Si]CC(C)CCC(C)CCCC)nn2)nc1
InChIInChI=1S/C27H43N3OSi/c1-5-7-9-10-11-13-24-16-17-25(28-20-24)26-18-19-27(30-29-26)31-32-21-23(4)15-14-22(3)12-8-6-2/h16-20,22-23H,5-15,21H2,1-4H3
InChIKeyOOWKNVLQDCIANO-UHFFFAOYSA-N
XLogP7.71
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.75
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412973
CID 22412853
CID 22412853
CID 22412963
CID 22412963
3-(5-heptyl-2-pyridinyl)-6-(4-hexoxybutyl)pyridazine
CID 22412895
2,5-dimethylnonyl-[6-[5-(4-hexoxybutyl)-2-pyridinyl]pyrazin-2-yl]oxysilane
CID 137328068
2,5-bis[5-(4-hexoxybutyl)-2-pyridinyl]pyrazine
CID 22412878
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 67813109
2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822

Frequently Asked Questions

What is the IUPAC name of CID 22412824?
The IUPAC name of CID 22412824 (CID 22412824) is not available.
What is the SMILES notation for CID 22412824?
The canonical SMILES for CID 22412824 is CCCCCCCc1ccc(-c2ccc(O[Si]CC(C)CCC(C)CCCC)nn2)nc1.
What is the InChIKey of CID 22412824?
The InChIKey is OOWKNVLQDCIANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3OSi/c1-5-7-9-10-11-13-24-16-17-25(28-20-24)26-18-19-27(30-29-26)31-32-21-23(4)15-14-22(3)12-8-6-2/h16-20,22-23H,5-15,21H2,1-4H3.
What are the key properties of CID 22412824?
CID 22412824 has a molecular weight of 453.75 g/mol, XLogP of 7.71, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22412824 is sourced from PubChem (CID 22412824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).