CID 154089433

C20H25Cl3PSiZr- — CID 154089433

IUPAC—
SMILESC[Si](C)C.Cl[Zr](Cl)Cl.c1cc[cH-]c1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C5H5.C3H9Si.3ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;1-4(2)3;;;;/h1-10,13H;1-5H;1-3H3;3*1H;/q;-1;;;;;+3/p-3
InChIKeyBJQNTBHLCLCWOV-UHFFFAOYSA-K
MW522.06 g/mol
LogP7.16
Rot. Bonds2

About CID 154089433

CID 154089433 (PubChem CID 154089433) has the molecular formula C20H25Cl3PSiZr- and a molecular weight of 522.06 g/mol.

Molecular Properties

Compound NameCID 154089433
PubChem CID154089433
Molecular FormulaC20H25Cl3PSiZr-
Molecular Weight522.06 g/mol
Exact Mass518.96
IUPAC Name—
SMILESC[Si](C)C.Cl[Zr](Cl)Cl.c1cc[cH-]c1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C5H5.C3H9Si.3ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;1-4(2)3;;;;/h1-10,13H;1-5H;1-3H3;3*1H;/q;-1;;;;;+3/p-3
InChIKeyBJQNTBHLCLCWOV-UHFFFAOYSA-K
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.06
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclopenta-1,3-diene);diphenylphosphane;iron(2+)
CID 172843906
diphenylphosphane;zinc
CID 160591319
bis(diphenylphosphane);zinc
CID 160732089
bis(diphenylphosphane);nickel
CID 172733587
diphenylphosphane;trichlororuthenium
CID 162065304
dichloromethane;diphenylphosphane
CID 158269242
carbanide;cyclopenta-1,3-diene;diphenylphosphane;methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium
CID 135084555
CID 172721003
CID 172721003
dichloropalladium;diphenylphosphane;iron
CID 175532989
bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
CID 18326967
bis(diphenylphosphane);propan-2-amine
CID 87832419
bis(diphenylphosphane);ethanol
CID 175242741

Frequently Asked Questions

What is the IUPAC name of CID 154089433?
The IUPAC name of CID 154089433 (CID 154089433) is not available.
What is the SMILES notation for CID 154089433?
The canonical SMILES for CID 154089433 is C[Si](C)C.Cl[Zr](Cl)Cl.c1cc[cH-]c1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of CID 154089433?
The InChIKey is BJQNTBHLCLCWOV-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H11P.C5H5.C3H9Si.3ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;1-4(2)3;;;;/h1-10,13H;1-5H;1-3H3;3*1H;/q;-1;;;;;+3/p-3.
What are the key properties of CID 154089433?
CID 154089433 has a molecular weight of 522.06 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154089433 is sourced from PubChem (CID 154089433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).