bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)

C38H42Si2Zr — CID 18513112

IUPACbis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)
SMILESCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.[Zr+2]
InChIInChI=1S/2C19H21Si.Zr/c2*1-2-12-20(13-7-14-20)19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19;/h2*3-6,8-10,19H,2,7,12-14H2,1H3;/q2*-1;+2
InChIKeyDYCDYMJCIOTCHN-UHFFFAOYSA-N
MW646.15 g/mol
LogP10.80
Rot. Bonds6

About bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)

bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+) (PubChem CID 18513112) has the molecular formula C38H42Si2Zr and a molecular weight of 646.15 g/mol. Its IUPAC name is bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+).

Molecular Properties

Compound Namebis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)
PubChem CID18513112
Molecular FormulaC38H42Si2Zr
Molecular Weight646.15 g/mol
Exact Mass644.19
IUPAC Namebis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)
SMILESCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.[Zr+2]
InChIInChI=1S/2C19H21Si.Zr/c2*1-2-12-20(13-7-14-20)19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19;/h2*3-6,8-10,19H,2,7,12-14H2,1H3;/q2*-1;+2
InChIKeyDYCDYMJCIOTCHN-UHFFFAOYSA-N
XLogP10.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.15
LogP ≤ 510.80
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'}

Analyze bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)?
The IUPAC name of bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+) (CID 18513112) is bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+).
What is the SMILES notation for bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)?
The canonical SMILES for bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+) is CCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.[Zr+2].
What is the InChIKey of bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)?
The InChIKey is DYCDYMJCIOTCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21Si.Zr/c2*1-2-12-20(13-7-14-20)19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19;/h2*3-6,8-10,19H,2,7,12-14H2,1H3;/q2*-1;+2.
What are the key properties of bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)?
bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+) has a molecular weight of 646.15 g/mol, XLogP of 10.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+) is sourced from PubChem (CID 18513112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).