CID 173032541

C32H29SiZr — CID 173032541

IUPAC—
SMILES[C-]1=CC=CC1.[Zr+2].[c-]1cccc2c1Cc1ccccc1-2.c1ccc(C[SiH]Cc2ccccc2)cc1
InChIInChI=1S/C14H15Si.C13H9.C5H5.Zr/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;/h1-10,15H,11-12H2;1-5,7-8H,9H2;1-3H,4H2;/q;2*-1;+2
InChIKeyOIDDZGISENWAOI-UHFFFAOYSA-N
MW532.89 g/mol
LogP7.18
Rot. Bonds4

About CID 173032541

CID 173032541 (PubChem CID 173032541) has the molecular formula C32H29SiZr and a molecular weight of 532.89 g/mol.

Molecular Properties

Compound NameCID 173032541
PubChem CID173032541
Molecular FormulaC32H29SiZr
Molecular Weight532.89 g/mol
Exact Mass531.11
IUPAC Name—
SMILES[C-]1=CC=CC1.[Zr+2].[c-]1cccc2c1Cc1ccccc1-2.c1ccc(C[SiH]Cc2ccccc2)cc1
InChIInChI=1S/C14H15Si.C13H9.C5H5.Zr/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;/h1-10,15H,11-12H2;1-5,7-8H,9H2;1-3H,4H2;/q;2*-1;+2
InChIKeyOIDDZGISENWAOI-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.89
LogP ≤ 57.18
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 173302368
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CID 173313985
CID 173313985
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cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium
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cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
CID 18316822
bis(cyclopenta-1,3-diene);bis(1,9-dihydrofluoren-1-ide);bis(propan-2-ylidenezirconium(2+));dichloride
CID 21253595

Frequently Asked Questions

What is the IUPAC name of CID 173032541?
The IUPAC name of CID 173032541 (CID 173032541) is not available.
What is the SMILES notation for CID 173032541?
The canonical SMILES for CID 173032541 is [C-]1=CC=CC1.[Zr+2].[c-]1cccc2c1Cc1ccccc1-2.c1ccc(C[SiH]Cc2ccccc2)cc1.
What is the InChIKey of CID 173032541?
The InChIKey is OIDDZGISENWAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Si.C13H9.C5H5.Zr/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;/h1-10,15H,11-12H2;1-5,7-8H,9H2;1-3H,4H2;/q;2*-1;+2.
What are the key properties of CID 173032541?
CID 173032541 has a molecular weight of 532.89 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173032541 is sourced from PubChem (CID 173032541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).