carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)

C44H42SiZr — CID 151603512

IUPACcarbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)
SMILESCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[CH2-][SiH](C)C.[CH3-].[Zr+4]
InChIInChI=1S/2C20H15.C3H9Si.CH3.Zr/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;1-4(2)3;;/h2*2-13H,1H3;4H,1H2,2-3H3;1H3;/q4*-1;+4
InChIKeyQKZJGMQWFCAORP-UHFFFAOYSA-N
MW690.13 g/mol
LogP12.67
Rot. Bonds2

About carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)

carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+) (PubChem CID 151603512) has the molecular formula C44H42SiZr and a molecular weight of 690.13 g/mol. Its IUPAC name is carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+).

Molecular Properties

Compound Namecarbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)
PubChem CID151603512
Molecular FormulaC44H42SiZr
Molecular Weight690.13 g/mol
Exact Mass688.21
IUPAC Namecarbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)
SMILESCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[CH2-][SiH](C)C.[CH3-].[Zr+4]
InChIInChI=1S/2C20H15.C3H9Si.CH3.Zr/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;1-4(2)3;;/h2*2-13H,1H3;4H,1H2,2-3H3;1H3;/q4*-1;+4
InChIKeyQKZJGMQWFCAORP-UHFFFAOYSA-N
XLogP12.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.13
LogP ≤ 512.67
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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tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride
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CID 87933487
CID 87933487
2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
CID 162036346
bis(2-methyl-3H-cyclopenta[a]naphthalen-3-ide);zirconium(4+);dichloride
CID 22645737

Frequently Asked Questions

What is the IUPAC name of carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)?
The IUPAC name of carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+) (CID 151603512) is carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+).
What is the SMILES notation for carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)?
The canonical SMILES for carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+) is Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.[CH2-][SiH](C)C.[CH3-].[Zr+4].
What is the InChIKey of carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)?
The InChIKey is QKZJGMQWFCAORP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15.C3H9Si.CH3.Zr/c2*1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18;1-4(2)3;;/h2*2-13H,1H3;4H,1H2,2-3H3;1H3;/q4*-1;+4.
What are the key properties of carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+)?
carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+) has a molecular weight of 690.13 g/mol, XLogP of 12.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanidyl(dimethyl)silane;bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);zirconium(4+) is sourced from PubChem (CID 151603512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).