CID 160721692

C27H20NPSi — CID 160721692

IUPAC—
SMILESc1ccc(P(c2ccccc2)c2ccccc2[Si]c2cccc3cccnc23)cc1
InChIInChI=1S/C27H20NPSi/c1-3-13-22(14-4-1)29(23-15-5-2-6-16-23)24-17-7-8-18-25(24)30-26-19-9-11-21-12-10-20-28-27(21)26/h1-20H
InChIKeyRGGVYXMKWMYFDI-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.65
Rot. Bonds5

About CID 160721692

CID 160721692 (PubChem CID 160721692) has the molecular formula C27H20NPSi and a molecular weight of 417.52 g/mol.

Molecular Properties

Compound NameCID 160721692
PubChem CID160721692
Molecular FormulaC27H20NPSi
Molecular Weight417.52 g/mol
Exact Mass417.11
IUPAC Name—
SMILESc1ccc(P(c2ccccc2)c2ccccc2[Si]c2cccc3cccnc23)cc1
InChIInChI=1S/C27H20NPSi/c1-3-13-22(14-4-1)29(23-15-5-2-6-16-23)24-17-7-8-18-25(24)30-26-19-9-11-21-12-10-20-28-27(21)26/h1-20H
InChIKeyRGGVYXMKWMYFDI-UHFFFAOYSA-N
XLogP3.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-diphenylphosphanylphenyl)-N-methylquinolin-8-amine
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8-diphenylphosphanylnaphthalene-1-thiol
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zinc bis(quinolin-8-olate)
CID 162394451
iron(2+);bis(quinolin-8-olate)
CID 14497034
palladium(2+);bis(quinolin-8-olate)
CID 15139981
tris(quinolin-8-olate);zirconium-89(3+)
CID 155884448
1,1-bis(diphenylphosphanyl)-2-quinolin-8-ylhydrazine
CID 102053800
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
hafnium(4+);tetrakis(quinolin-8-olate);toluene
CID 139077805
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219

Frequently Asked Questions

What is the IUPAC name of CID 160721692?
The IUPAC name of CID 160721692 (CID 160721692) is not available.
What is the SMILES notation for CID 160721692?
The canonical SMILES for CID 160721692 is c1ccc(P(c2ccccc2)c2ccccc2[Si]c2cccc3cccnc23)cc1.
What is the InChIKey of CID 160721692?
The InChIKey is RGGVYXMKWMYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20NPSi/c1-3-13-22(14-4-1)29(23-15-5-2-6-16-23)24-17-7-8-18-25(24)30-26-19-9-11-21-12-10-20-28-27(21)26/h1-20H.
What are the key properties of CID 160721692?
CID 160721692 has a molecular weight of 417.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160721692 is sourced from PubChem (CID 160721692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).