4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+)

C30H52SiZr — CID 162291585

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+)
SMILESCCCC1C(C)C(C)C([Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C26H40Si.4CH3.Zr/c1-7-12-20-17(2)18(3)25(19(20)4)27(5,6)26-23-15-10-8-13-21(23)22-14-9-11-16-24(22)26;;;;;/h8-11,13-26H,7,12H2,1-6H3;4*1H3;/q;4*-1;+4
InChIKeyFEZUGKKGOWOMFQ-UHFFFAOYSA-N
MW532.06 g/mol
LogP9.30
Rot. Bonds4

About 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+)

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+) (PubChem CID 162291585) has the molecular formula C30H52SiZr and a molecular weight of 532.06 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+).

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+)
PubChem CID162291585
Molecular FormulaC30H52SiZr
Molecular Weight532.06 g/mol
Exact Mass530.29
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+)
SMILESCCCC1C(C)C(C)C([Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C26H40Si.4CH3.Zr/c1-7-12-20-17(2)18(3)25(19(20)4)27(5,6)26-23-15-10-8-13-21(23)22-14-9-11-16-24(22)26;;;;;/h8-11,13-26H,7,12H2,1-6H3;4*1H3;/q;4*-1;+4
InChIKeyFEZUGKKGOWOMFQ-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.06
LogP ≤ 59.30
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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Frequently Asked Questions

What is the IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+)?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+) (CID 162291585) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+).
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+)?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+) is CCCC1C(C)C(C)C([Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+)?
The InChIKey is FEZUGKKGOWOMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40Si.4CH3.Zr/c1-7-12-20-17(2)18(3)25(19(20)4)27(5,6)26-23-15-10-8-13-21(23)22-14-9-11-16-24(22)26;;;;;/h8-11,13-26H,7,12H2,1-6H3;4*1H3;/q;4*-1;+4.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+)?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+) has a molecular weight of 532.06 g/mol, XLogP of 9.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-(2,3,5-trimethyl-4-propylcyclopentyl)silane;carbanide;zirconium(4+) is sourced from PubChem (CID 162291585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).