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

C32H46Cl2SiZr — CID 162286836

IUPACcarbanide;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
SMILESCC1=CC=C(C)C2C1CC(c1ccccc1)C2[Si](C)(C)C1C(C)C2C=CC=CC2C1C.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C30H40Si.2CH3.2ClH.Zr/c1-19-16-17-20(2)28-26(19)18-27(23-12-8-7-9-13-23)30(28)31(5,6)29-21(3)24-14-10-11-15-25(24)22(29)4;;;;;/h7-17,21-22,24-30H,18H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyVLPAAYHBDQOZKW-UHFFFAOYSA-L
MW620.94 g/mol
LogP10.68
Rot. Bonds3

About 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

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 (PubChem CID 162286836) has the molecular formula C32H46Cl2SiZr and a molecular weight of 620.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecarbanide;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
PubChem CID162286836
Molecular FormulaC32H46Cl2SiZr
Molecular Weight620.94 g/mol
Exact Mass618.18
IUPAC Namecarbanide;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
SMILESCC1=CC=C(C)C2C1CC(c1ccccc1)C2[Si](C)(C)C1C(C)C2C=CC=CC2C1C.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C30H40Si.2CH3.2ClH.Zr/c1-19-16-17-20(2)28-26(19)18-27(23-12-8-7-9-13-23)30(28)31(5,6)29-21(3)24-14-10-11-15-25(24)22(29)4;;;;;/h7-17,21-22,24-30H,18H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyVLPAAYHBDQOZKW-UHFFFAOYSA-L
XLogP10.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.94
LogP ≤ 510.68
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)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298306
(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
carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298480
(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
carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)
CID 162298138
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
dimethyl-(2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634122
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
(2-methylcyclopentyl)benzene
CID 12600454
(4-anthracen-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 162694927
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=CC=C(C)C2C1CC(c1ccccc1)C2[Si](C)(C)C1C(C)C2C=CC=CC2C1C.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)-(4,7-dimethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is VLPAAYHBDQOZKW-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H40Si.2CH3.2ClH.Zr/c1-19-16-17-20(2)28-26(19)18-27(23-12-8-7-9-13-23)30(28)31(5,6)29-21(3)24-14-10-11-15-25(24)22(29)4;;;;;/h7-17,21-22,24-30H,18H2,1-6H3;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)-(4,7-dimethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
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 has a molecular weight of 620.94 g/mol, XLogP of 10.68, 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)-(4,7-dimethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 162286836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).