CID 175787825

C30H40Br2SiZr — CID 175787825

IUPAC—
SMILESCC(C)Cc1cc2ccccc2[cH-]1.CC(C)Cc1cc2ccccc2[cH-]1.CC[Si]CC.[Br-].[Br-].[Zr+4]
InChIInChI=1S/2C13H15.C4H10Si.2BrH.Zr/c2*1-10(2)7-11-8-12-5-3-4-6-13(12)9-11;1-3-5-4-2;;;/h2*3-6,8-10H,7H2,1-2H3;3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeySRLYTFJWOULREY-UHFFFAOYSA-L
MW679.77 g/mol
LogP3.09
Rot. Bonds6

About CID 175787825

CID 175787825 (PubChem CID 175787825) has the molecular formula C30H40Br2SiZr and a molecular weight of 679.77 g/mol.

Molecular Properties

Compound NameCID 175787825
PubChem CID175787825
Molecular FormulaC30H40Br2SiZr
Molecular Weight679.77 g/mol
Exact Mass676.03
IUPAC Name—
SMILESCC(C)Cc1cc2ccccc2[cH-]1.CC(C)Cc1cc2ccccc2[cH-]1.CC[Si]CC.[Br-].[Br-].[Zr+4]
InChIInChI=1S/2C13H15.C4H10Si.2BrH.Zr/c2*1-10(2)7-11-8-12-5-3-4-6-13(12)9-11;1-3-5-4-2;;;/h2*3-6,8-10H,7H2,1-2H3;3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeySRLYTFJWOULREY-UHFFFAOYSA-L
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500679.77
LogP ≤ 53.09
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

9-Methyl-9-(trimethylsilyl)fluorene
CID 3484382
Dichloro[(dimethylsilylene)bis(2-methyl-4-phenylindenyl)]zirconium(IV)
CID 18365609
Zirconium(4+) chloride 2-methyl-1H-inden-1-ide (1/2/2)
CID 22909881
rac-Methylene-bis(3-tert-butyl-1H-inden-1-yl)zirconium dichloride
CID 87929034
9,9-Bis(trimethylsilyl)fluorene
CID 553510
9-(Trimethylsilyl)fluorene
CID 553570
Di-9H-fluoren-9-yldimethylsilane
CID 614011
2-(9H-Fluoren-9-yl)-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane
CID 12545113
rac-Dimethylsilylbis (2-methylindenyl) zirconium dichloride
CID 15390285
[[bis(trimethylsilyl)methyl-(9H-fluoren-9-yl)-fluorogermyl]-trimethylsilylmethyl]-trimethylsilane
CID 135049096
Silane, [9,9'-bi-9H-fluorene]-9,9'-diylbis[trimethyl-
CID 552290
9-t-Butyldimethylsilylfluorene
CID 10378948

Frequently Asked Questions

What is the IUPAC name of CID 175787825?
The IUPAC name of CID 175787825 (CID 175787825) is not available.
What is the SMILES notation for CID 175787825?
The canonical SMILES for CID 175787825 is CC(C)Cc1cc2ccccc2[cH-]1.CC(C)Cc1cc2ccccc2[cH-]1.CC[Si]CC.[Br-].[Br-].[Zr+4].
What is the InChIKey of CID 175787825?
The InChIKey is SRLYTFJWOULREY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H15.C4H10Si.2BrH.Zr/c2*1-10(2)7-11-8-12-5-3-4-6-13(12)9-11;1-3-5-4-2;;;/h2*3-6,8-10H,7H2,1-2H3;3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 175787825?
CID 175787825 has a molecular weight of 679.77 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175787825 is sourced from PubChem (CID 175787825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).