CID 58175947

C20H21N2O2Si — CID 58175947

IUPAC—
SMILESCCO[Si](OCC)c1ccc(-c2ccc(-c3ccccn3)nc2)cc1
InChIInChI=1S/C20H21N2O2Si/c1-3-23-25(24-4-2)18-11-8-16(9-12-18)17-10-13-20(22-15-17)19-7-5-6-14-21-19/h5-15H,3-4H2,1-2H3
InChIKeyVBPSBWIAAUVICM-UHFFFAOYSA-N
MW349.49 g/mol
LogP3.58
Rot. Bonds7

About CID 58175947

CID 58175947 (PubChem CID 58175947) has the molecular formula C20H21N2O2Si and a molecular weight of 349.49 g/mol.

Molecular Properties

Compound NameCID 58175947
PubChem CID58175947
Molecular FormulaC20H21N2O2Si
Molecular Weight349.49 g/mol
Exact Mass349.14
IUPAC Name—
SMILESCCO[Si](OCC)c1ccc(-c2ccc(-c3ccccn3)nc2)cc1
InChIInChI=1S/C20H21N2O2Si/c1-3-23-25(24-4-2)18-11-8-16(9-12-18)17-10-13-20(22-15-17)19-7-5-6-14-21-19/h5-15H,3-4H2,1-2H3
InChIKeyVBPSBWIAAUVICM-UHFFFAOYSA-N
XLogP3.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-pyridin-2-yl-3-pyridinyl)aniline
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3-phenyl-5-(6-pyridin-2-yl-3-pyridinyl)pyridine
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propane;2-pyridin-2-ylpyridine
CID 158168510
2,4-diphenyl-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine
CID 167549240
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
CID 126730919
2-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]acetic acid
CID 170886833
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
5-(methoxymethyl)-2-pyridin-2-ylpyridine
CID 58454942
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 71088319
2,4-diphenyl-6-[4-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 165168303

Frequently Asked Questions

What is the IUPAC name of CID 58175947?
The IUPAC name of CID 58175947 (CID 58175947) is not available.
What is the SMILES notation for CID 58175947?
The canonical SMILES for CID 58175947 is CCO[Si](OCC)c1ccc(-c2ccc(-c3ccccn3)nc2)cc1.
What is the InChIKey of CID 58175947?
The InChIKey is VBPSBWIAAUVICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2O2Si/c1-3-23-25(24-4-2)18-11-8-16(9-12-18)17-10-13-20(22-15-17)19-7-5-6-14-21-19/h5-15H,3-4H2,1-2H3.
What are the key properties of CID 58175947?
CID 58175947 has a molecular weight of 349.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58175947 is sourced from PubChem (CID 58175947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).