cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane

C41H46OSi — CID 151176152

IUPACcyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane
SMILESCOc1cc(C(C)(C)C)c([Si](c2ccc(C)cc2)(c2ccc(C)cc2)C2C=CC=C2)c2c1-c1ccc(C(C)(C)C)cc1C2
InChIInChI=1S/C41H46OSi/c1-27-14-19-32(20-15-27)43(31-12-10-11-13-31,33-21-16-28(2)17-22-33)39-35-25-29-24-30(40(3,4)5)18-23-34(29)38(35)37(42-9)26-36(39)41(6,7)8/h10-24,26,31H,25H2,1-9H3
InChIKeyNDHOIVJLDLGTJC-UHFFFAOYSA-N
MW582.90 g/mol
LogP8.44
Rot. Bonds5

About cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane

cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane (PubChem CID 151176152) has the molecular formula C41H46OSi and a molecular weight of 582.90 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane
PubChem CID151176152
Molecular FormulaC41H46OSi
Molecular Weight582.90 g/mol
Exact Mass582.33
IUPAC Namecyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane
SMILESCOc1cc(C(C)(C)C)c([Si](c2ccc(C)cc2)(c2ccc(C)cc2)C2C=CC=C2)c2c1-c1ccc(C(C)(C)C)cc1C2
InChIInChI=1S/C41H46OSi/c1-27-14-19-32(20-15-27)43(31-12-10-11-13-31,33-21-16-28(2)17-22-33)39-35-25-29-24-30(40(3,4)5)18-23-34(29)38(35)37(42-9)26-36(39)41(6,7)8/h10-24,26,31H,25H2,1-9H3
InChIKeyNDHOIVJLDLGTJC-UHFFFAOYSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.90
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane?
The IUPAC name of cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane (CID 151176152) is cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane is COc1cc(C(C)(C)C)c([Si](c2ccc(C)cc2)(c2ccc(C)cc2)C2C=CC=C2)c2c1-c1ccc(C(C)(C)C)cc1C2.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane?
The InChIKey is NDHOIVJLDLGTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46OSi/c1-27-14-19-32(20-15-27)43(31-12-10-11-13-31,33-21-16-28(2)17-22-33)39-35-25-29-24-30(40(3,4)5)18-23-34(29)38(35)37(42-9)26-36(39)41(6,7)8/h10-24,26,31H,25H2,1-9H3.
What are the key properties of cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane?
cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane has a molecular weight of 582.90 g/mol, XLogP of 8.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-(2,7-ditert-butyl-4-methoxy-9H-fluoren-1-yl)-bis(4-methylphenyl)silane is sourced from PubChem (CID 151176152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).