CID 134888888

C42H48ClP2Si2Zr — CID 134888888

IUPAC—
SMILESC[Si](C)(CCP(c1ccccc1)c1ccccc1)[C]1[CH][CH][CH][CH]1.C[Si](C)(CCP(c1ccccc1)c1ccccc1)[C]1[CH][CH][CH][CH]1.Cl[Zr]
InChIInChI=1S/2C21H24PSi.ClH.Zr/c2*1-23(2,21-15-9-10-16-21)18-17-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20;;/h2*3-16H,17-18H2,1-2H3;1H;/q;;;+1/p-1
InChIKeyOHVDZNFTUWTFMQ-UHFFFAOYSA-M
MW797.64 g/mol
LogP10.23
Rot. Bonds12

About CID 134888888

CID 134888888 (PubChem CID 134888888) has the molecular formula C42H48ClP2Si2Zr and a molecular weight of 797.64 g/mol.

Molecular Properties

Compound NameCID 134888888
PubChem CID134888888
Molecular FormulaC42H48ClP2Si2Zr
Molecular Weight797.64 g/mol
Exact Mass795.15
IUPAC Name—
SMILESC[Si](C)(CCP(c1ccccc1)c1ccccc1)[C]1[CH][CH][CH][CH]1.C[Si](C)(CCP(c1ccccc1)c1ccccc1)[C]1[CH][CH][CH][CH]1.Cl[Zr]
InChIInChI=1S/2C21H24PSi.ClH.Zr/c2*1-23(2,21-15-9-10-16-21)18-17-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20;;/h2*3-16H,17-18H2,1-2H3;1H;/q;;;+1/p-1
InChIKeyOHVDZNFTUWTFMQ-UHFFFAOYSA-M
XLogP10.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.64
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[dichloro(phenyl)silyl]ethyl-diphenylphosphane
CID 13086808
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
diphenyl(2-triphenylsilylethyl)phosphane
CID 14007797
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenyl(2-trimethylstannylethyl)phosphane
CID 13153746
dichloroiron;diphenyl(propyl)phosphane
CID 175149268
dichloronickel;bis(diphenyl(propyl)phosphane)
CID 87129784
2-[ethoxy(dimethoxy)silyl]ethyl-diphenylphosphane
CID 134945563
bis(diphenylphosphanylmethyl)-trimethylsilylphosphane
CID 578775
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434

Frequently Asked Questions

What is the IUPAC name of CID 134888888?
The IUPAC name of CID 134888888 (CID 134888888) is not available.
What is the SMILES notation for CID 134888888?
The canonical SMILES for CID 134888888 is C[Si](C)(CCP(c1ccccc1)c1ccccc1)[C]1[CH][CH][CH][CH]1.C[Si](C)(CCP(c1ccccc1)c1ccccc1)[C]1[CH][CH][CH][CH]1.Cl[Zr].
What is the InChIKey of CID 134888888?
The InChIKey is OHVDZNFTUWTFMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C21H24PSi.ClH.Zr/c2*1-23(2,21-15-9-10-16-21)18-17-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20;;/h2*3-16H,17-18H2,1-2H3;1H;/q;;;+1/p-1.
What are the key properties of CID 134888888?
CID 134888888 has a molecular weight of 797.64 g/mol, XLogP of 10.23, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888888 is sourced from PubChem (CID 134888888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).