carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

C30H42Cl2SiZr — CID 162298306

IUPACcarbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
SMILESCC1C2C=CC=CC2C(C)C1[Si](C)(C)C1CC(c2ccccc2)C2C=CC=CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C28H36Si.2CH3.2ClH.Zr/c1-19-22-14-8-9-15-23(22)20(2)28(19)29(3,4)27-18-26(21-12-6-5-7-13-21)24-16-10-11-17-25(24)27;;;;;/h5-17,19-20,22-28H,18H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyPJIMTXWDERAFCP-UHFFFAOYSA-L
MW592.88 g/mol
LogP9.90
Rot. Bonds3

About carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (PubChem CID 162298306) has the molecular formula C30H42Cl2SiZr and a molecular weight of 592.88 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Namecarbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
PubChem CID162298306
Molecular FormulaC30H42Cl2SiZr
Molecular Weight592.88 g/mol
Exact Mass590.15
IUPAC Namecarbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
SMILESCC1C2C=CC=CC2C(C)C1[Si](C)(C)C1CC(c2ccccc2)C2C=CC=CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C28H36Si.2CH3.2ClH.Zr/c1-19-22-14-8-9-15-23(22)20(2)28(19)29(3,4)27-18-26(21-12-6-5-7-13-21)24-16-10-11-17-25(24)27;;;;;/h5-17,19-20,22-28H,18H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyPJIMTXWDERAFCP-UHFFFAOYSA-L
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.88
LogP ≤ 59.90
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

carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-(4,7-dimethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
CID 162286836
carbanide;dichlorotitanium;dimethyl-[(3S)-3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane
CID 58634315
dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane
CID 76843825
dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 76843788
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 156675189
dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-[2-(3,5-dimethylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 156675178
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)
CID 162298138
trimethyl-[methyl-[(1S,2R)-2-phenylcyclopropyl]-trimethylsilyloxysilyl]oxysilane
CID 102422598

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The IUPAC name of carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (CID 162298306) is carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.
What is the SMILES notation for carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The canonical SMILES for carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is CC1C2C=CC=CC2C(C)C1[Si](C)(C)C1CC(c2ccccc2)C2C=CC=CC21.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The InChIKey is PJIMTXWDERAFCP-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H36Si.2CH3.2ClH.Zr/c1-19-22-14-8-9-15-23(22)20(2)28(19)29(3,4)27-18-26(21-12-6-5-7-13-21)24-16-10-11-17-25(24)27;;;;;/h5-17,19-20,22-28H,18H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane has a molecular weight of 592.88 g/mol, XLogP of 9.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 162298306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).