CID 173190173

C52H52SiZr — CID 173190173

IUPAC—
SMILESCCCCc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.CCCCc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.C[Si]C.[Zr+2]
InChIInChI=1S/2C25H23.C2H6Si.Zr/c2*1-2-3-10-20-13-7-8-15-23(20)24-16-9-14-21-17-22(18-25(21)24)19-11-5-4-6-12-19;1-3-2;/h2*4-9,11-18H,2-3,10H2,1H3;1-2H3;/q2*-1;;+2
InChIKeyRFHJXZRLTSVHIZ-UHFFFAOYSA-N
MW796.30 g/mol
LogP15.25
Rot. Bonds10

About CID 173190173

CID 173190173 (PubChem CID 173190173) has the molecular formula C52H52SiZr and a molecular weight of 796.30 g/mol.

Molecular Properties

Compound NameCID 173190173
PubChem CID173190173
Molecular FormulaC52H52SiZr
Molecular Weight796.30 g/mol
Exact Mass794.29
IUPAC Name—
SMILESCCCCc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.CCCCc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.C[Si]C.[Zr+2]
InChIInChI=1S/2C25H23.C2H6Si.Zr/c2*1-2-3-10-20-13-7-8-15-23(20)24-16-9-14-21-17-22(18-25(21)24)19-11-5-4-6-12-19;1-3-2;/h2*4-9,11-18H,2-3,10H2,1H3;1-2H3;/q2*-1;;+2
InChIKeyRFHJXZRLTSVHIZ-UHFFFAOYSA-N
XLogP15.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.30
LogP ≤ 515.25
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'}

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Related Compounds

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CID 173190042
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CID 173178161
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CID 173190386
CID 173190048
CID 173190048
CID 173178428
CID 173178428
CID 173190406
CID 173190406
bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173142083
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
CID 173192807
CID 173192807
CID 173189989
CID 173189989

Frequently Asked Questions

What is the IUPAC name of CID 173190173?
The IUPAC name of CID 173190173 (CID 173190173) is not available.
What is the SMILES notation for CID 173190173?
The canonical SMILES for CID 173190173 is CCCCc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.CCCCc1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.C[Si]C.[Zr+2].
What is the InChIKey of CID 173190173?
The InChIKey is RFHJXZRLTSVHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23.C2H6Si.Zr/c2*1-2-3-10-20-13-7-8-15-23(20)24-16-9-14-21-17-22(18-25(21)24)19-11-5-4-6-12-19;1-3-2;/h2*4-9,11-18H,2-3,10H2,1H3;1-2H3;/q2*-1;;+2.
What are the key properties of CID 173190173?
CID 173190173 has a molecular weight of 796.30 g/mol, XLogP of 15.25, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173190173 is sourced from PubChem (CID 173190173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).