carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)

C32H48SiZr — CID 162298138

IUPACcarbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)
SMILESCC1CC2C=CC=CC2C1[Si](C)(C)C1C(C)CC2C=CC=CC21.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C22H32Si.C7H7.3CH3.Zr/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-7-5-3-2-4-6-7;;;;/h5-12,15-22H,13-14H2,1-4H3;2-6H,1H2;3*1H3;/q;4*-1;+4
InChIKeyLQPJQJUWZKBRQU-UHFFFAOYSA-N
MW552.05 g/mol
LogP9.45
Rot. Bonds2

About carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)

carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+) (PubChem CID 162298138) has the molecular formula C32H48SiZr and a molecular weight of 552.05 g/mol. Its IUPAC name is carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+).

Molecular Properties

Compound Namecarbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)
PubChem CID162298138
Molecular FormulaC32H48SiZr
Molecular Weight552.05 g/mol
Exact Mass550.26
IUPAC Namecarbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)
SMILESCC1CC2C=CC=CC2C1[Si](C)(C)C1C(C)CC2C=CC=CC21.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C22H32Si.C7H7.3CH3.Zr/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-7-5-3-2-4-6-7;;;;/h5-12,15-22H,13-14H2,1-4H3;2-6H,1H2;3*1H3;/q;4*-1;+4
InChIKeyLQPJQJUWZKBRQU-UHFFFAOYSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.05
LogP ≤ 59.45
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+);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
methanidylbenzene;1,2,3,4,5-pentamethylcyclopentane;zirconium(4+)
CID 23228926
7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
dimethyl-(2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634122
(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)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140862858
2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole
CID 135219400
cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)
CID 23231240
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
carbanide;methanidylbenzene;molybdenum(2+)
CID 150166404
dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102

Frequently Asked Questions

What is the IUPAC name of carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)?
The IUPAC name of carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+) (CID 162298138) is carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+).
What is the SMILES notation for carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)?
The canonical SMILES for carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+) is CC1CC2C=CC=CC2C1[Si](C)(C)C1C(C)CC2C=CC=CC21.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[Zr+4].
What is the InChIKey of carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)?
The InChIKey is LQPJQJUWZKBRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Si.C7H7.3CH3.Zr/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-7-5-3-2-4-6-7;;;;/h5-12,15-22H,13-14H2,1-4H3;2-6H,1H2;3*1H3;/q;4*-1;+4.
What are the key properties of carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)?
carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+) has a molecular weight of 552.05 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+) is sourced from PubChem (CID 162298138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).