CID 145139332

C20H19NOSi- — CID 145139332

IUPAC—
SMILESC[Si-](C)(C)C#Cc1ccc2cccc(Oc3ccccc3)c2n1
InChIInChI=1S/C20H19NOSi/c1-23(2,3)15-14-17-13-12-16-8-7-11-19(20(16)21-17)22-18-9-5-4-6-10-18/h4-13H,1-3H3/q-1
InChIKeyKDDMHRCOZLCOBW-UHFFFAOYSA-N
MW317.46 g/mol
LogP5.26
Rot. Bonds2

About CID 145139332

CID 145139332 (PubChem CID 145139332) has the molecular formula C20H19NOSi- and a molecular weight of 317.46 g/mol.

Molecular Properties

Compound NameCID 145139332
PubChem CID145139332
Molecular FormulaC20H19NOSi-
Molecular Weight317.46 g/mol
Exact Mass317.12
IUPAC Name—
SMILESC[Si-](C)(C)C#Cc1ccc2cccc(Oc3ccccc3)c2n1
InChIInChI=1S/C20H19NOSi/c1-23(2,3)15-14-17-13-12-16-8-7-11-19(20(16)21-17)22-18-9-5-4-6-10-18/h4-13H,1-3H3/q-1
InChIKeyKDDMHRCOZLCOBW-UHFFFAOYSA-N
XLogP5.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 145139279
CID 145139279
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trimethyl-[2-(6-phenoxy-2-pyridinyl)ethynyl]silane
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2-methyl-8-phenoxyquinolin-4-amine
CID 55063401
2,6-diphenoxybenzonitrile
CID 71353957
N,2-dimethyl-8-phenoxyquinolin-4-amine
CID 63481310
2,4,6-trimethyl-3,5-bis[(2-methylquinolin-8-yl)oxy]phenol
CID 174989435
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
1,3-diphenoxy-2-phenylbenzene
CID 88611434
ethane;1-methyl-2-phenoxybenzene
CID 90950955
N,N,2-trimethyl-6-phenoxyaniline
CID 91549486

Frequently Asked Questions

What is the IUPAC name of CID 145139332?
The IUPAC name of CID 145139332 (CID 145139332) is not available.
What is the SMILES notation for CID 145139332?
The canonical SMILES for CID 145139332 is C[Si-](C)(C)C#Cc1ccc2cccc(Oc3ccccc3)c2n1.
What is the InChIKey of CID 145139332?
The InChIKey is KDDMHRCOZLCOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOSi/c1-23(2,3)15-14-17-13-12-16-8-7-11-19(20(16)21-17)22-18-9-5-4-6-10-18/h4-13H,1-3H3/q-1.
What are the key properties of CID 145139332?
CID 145139332 has a molecular weight of 317.46 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145139332 is sourced from PubChem (CID 145139332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).