carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)

C55H78OSiZr — CID 162293972

IUPACcarbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)
SMILESCOc1c(C(C)(C)C)cc(C2=CC=CC3C2CC(C)C3[Si](C)(C)C2C3C=CC=C(c4ccccc4-c4ccccc4)C3CC2C(C)C)cc1C(C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C51H66OSi.4CH3.Zr/c1-32(2)42-31-44-39(38-23-17-16-22-36(38)34-20-14-13-15-21-34)25-19-27-41(44)49(42)53(11,12)48-33(3)28-43-37(24-18-26-40(43)48)35-29-45(50(4,5)6)47(52-10)46(30-35)51(7,8)9;;;;;/h13-27,29-30,32-33,40-44,48-49H,28,31H2,1-12H3;4*1H3;/q;4*-1;+4
InChIKeyJQIJEXIPYZCMOL-UHFFFAOYSA-N
MW874.54 g/mol
LogP15.99
Rot. Bonds7

About carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)

carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+) (PubChem CID 162293972) has the molecular formula C55H78OSiZr and a molecular weight of 874.54 g/mol. Its IUPAC name is carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+).

Molecular Properties

Compound Namecarbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)
PubChem CID162293972
Molecular FormulaC55H78OSiZr
Molecular Weight874.54 g/mol
Exact Mass872.49
IUPAC Namecarbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)
SMILESCOc1c(C(C)(C)C)cc(C2=CC=CC3C2CC(C)C3[Si](C)(C)C2C3C=CC=C(c4ccccc4-c4ccccc4)C3CC2C(C)C)cc1C(C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C51H66OSi.4CH3.Zr/c1-32(2)42-31-44-39(38-23-17-16-22-36(38)34-20-14-13-15-21-34)25-19-27-41(44)49(42)53(11,12)48-33(3)28-43-37(24-18-26-40(43)48)35-29-45(50(4,5)6)47(52-10)46(30-35)51(7,8)9;;;;;/h13-27,29-30,32-33,40-44,48-49H,28,31H2,1-12H3;4*1H3;/q;4*-1;+4
InChIKeyJQIJEXIPYZCMOL-UHFFFAOYSA-N
XLogP15.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.54
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

bis[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 140679013
[4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 162270332
bis[2-cyclopropyl-4-(3,5-ditert-butyl-4-methoxyphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 140679016
[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
CID 162289724
[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane
CID 72574460
[(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium
CID 58634317
bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
CID 156627158
bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 59227036
carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)
CID 162298138
2-(bromomethyl)-1-[2-(bromomethyl)-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)phenyl]-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)benzene
CID 101253495
(3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene
CID 59107372
[3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane
CID 162286238

Frequently Asked Questions

What is the IUPAC name of carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)?
The IUPAC name of carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+) (CID 162293972) is carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+).
What is the SMILES notation for carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)?
The canonical SMILES for carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+) is COc1c(C(C)(C)C)cc(C2=CC=CC3C2CC(C)C3[Si](C)(C)C2C3C=CC=C(c4ccccc4-c4ccccc4)C3CC2C(C)C)cc1C(C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].
What is the InChIKey of carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)?
The InChIKey is JQIJEXIPYZCMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H66OSi.4CH3.Zr/c1-32(2)42-31-44-39(38-23-17-16-22-36(38)34-20-14-13-15-21-34)25-19-27-41(44)49(42)53(11,12)48-33(3)28-43-37(24-18-26-40(43)48)35-29-45(50(4,5)6)47(52-10)46(30-35)51(7,8)9;;;;;/h13-27,29-30,32-33,40-44,48-49H,28,31H2,1-12H3;4*1H3;/q;4*-1;+4.
What are the key properties of carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)?
carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+) has a molecular weight of 874.54 g/mol, XLogP of 15.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+) is sourced from PubChem (CID 162293972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).