benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide

C30H30Cl2SiZr-2 — CID 154419542

IUPACbenzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide
SMILESC[Si](C)(C)c1cc[cH-]c1.Cl[Zr](Cl)=C(c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H10.C9H7.C8H13Si.2ClH.Zr/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-5-9-7-3-6-8(9)4-1;1-9(2,3)8-6-4-5-7-8;;;/h1-10H;1-7H;4-7H,1-3H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyXKWWCKZHSWVJNZ-UHFFFAOYSA-L
MW580.79 g/mol
LogP8.69
Rot. Bonds3

About benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide

benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide (PubChem CID 154419542) has the molecular formula C30H30Cl2SiZr-2 and a molecular weight of 580.79 g/mol. Its IUPAC name is benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide.

Molecular Properties

Compound Namebenzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide
PubChem CID154419542
Molecular FormulaC30H30Cl2SiZr-2
Molecular Weight580.79 g/mol
Exact Mass578.06
IUPAC Namebenzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide
SMILESC[Si](C)(C)c1cc[cH-]c1.Cl[Zr](Cl)=C(c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H10.C9H7.C8H13Si.2ClH.Zr/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-5-9-7-3-6-8(9)4-1;1-9(2,3)8-6-4-5-7-8;;;/h1-10H;1-7H;4-7H,1-3H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyXKWWCKZHSWVJNZ-UHFFFAOYSA-L
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.79
LogP ≤ 58.69
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 benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide with MolForge

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

Launch Full Analysis

Related Compounds

benzhydrylidene(dichloro)zirconium;1,2-diethylcyclopenta-1,3-diene;1H-inden-1-ide
CID 154419546
benzhydrylidene(dichloro)zirconium;2,7-dimethyl-9H-fluoren-9-ide;1H-inden-1-ide
CID 173081411
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium
CID 154409030
cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)
CID 154431960
1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)
CID 151787229
benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride
CID 18358747
dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)
CID 173133889
benzhydrylidene(dichloro)zirconium;9H-fluoren-9-ide;7-phenyl-1H-inden-1-ide
CID 173081477
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
2-ethylcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+);dichloride
CID 159770687
dichlorozirconium(2+);1H-inden-1-ide;3H-inden-3-id-1-yl(trimethyl)silane
CID 87558877
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152

Frequently Asked Questions

What is the IUPAC name of benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide?
The IUPAC name of benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide (CID 154419542) is benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide.
What is the SMILES notation for benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide?
The canonical SMILES for benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide is C[Si](C)(C)c1cc[cH-]c1.Cl[Zr](Cl)=C(c1ccccc1)c1ccccc1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide?
The InChIKey is XKWWCKZHSWVJNZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H10.C9H7.C8H13Si.2ClH.Zr/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-5-9-7-3-6-8(9)4-1;1-9(2,3)8-6-4-5-7-8;;;/h1-10H;1-7H;4-7H,1-3H3;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide?
benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide has a molecular weight of 580.79 g/mol, XLogP of 8.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidene(dichloro)zirconium;cyclopenta-1,4-dien-1-yl(trimethyl)silane;1H-inden-1-ide is sourced from PubChem (CID 154419542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).