tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane

C55H50O6Si2 — CID 59469961

IUPACtris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane
SMILESCOc1ccc([Si](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc3c(c2)-c2cc([Si](c4ccc(OC)cc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2C3)cc1
InChIInChI=1S/C55H50O6Si2/c1-56-40-9-23-46(24-10-40)62(47-25-11-41(57-2)12-26-47,48-27-13-42(58-3)14-28-48)52-21-7-38-35-39-8-22-53(37-55(39)54(38)36-52)63(49-29-15-43(59-4)16-30-49,50-31-17-44(60-5)18-32-50)51-33-19-45(61-6)20-34-51/h7-34,36-37H,35H2,1-6H3
InChIKeyFRJABADUNSGZEX-UHFFFAOYSA-N
MW863.17 g/mol
LogP6.06
Rot. Bonds14

About tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane

tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane (PubChem CID 59469961) has the molecular formula C55H50O6Si2 and a molecular weight of 863.17 g/mol. Its IUPAC name is tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane.

Molecular Properties

Compound Nametris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane
PubChem CID59469961
Molecular FormulaC55H50O6Si2
Molecular Weight863.17 g/mol
Exact Mass862.31
IUPAC Nametris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane
SMILESCOc1ccc([Si](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc3c(c2)-c2cc([Si](c4ccc(OC)cc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2C3)cc1
InChIInChI=1S/C55H50O6Si2/c1-56-40-9-23-46(24-10-40)62(47-25-11-41(57-2)12-26-47,48-27-13-42(58-3)14-28-48)52-21-7-38-35-39-8-22-53(37-55(39)54(38)36-52)63(49-29-15-43(59-4)16-30-49,50-31-17-44(60-5)18-32-50)51-33-19-45(61-6)20-34-51/h7-34,36-37H,35H2,1-6H3
InChIKeyFRJABADUNSGZEX-UHFFFAOYSA-N
XLogP6.06
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.17
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane?
The IUPAC name of tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane (CID 59469961) is tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane.
What is the SMILES notation for tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane?
The canonical SMILES for tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane is COc1ccc([Si](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc3c(c2)-c2cc([Si](c4ccc(OC)cc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2C3)cc1.
What is the InChIKey of tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane?
The InChIKey is FRJABADUNSGZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50O6Si2/c1-56-40-9-23-46(24-10-40)62(47-25-11-41(57-2)12-26-47,48-27-13-42(58-3)14-28-48)52-21-7-38-35-39-8-22-53(37-55(39)54(38)36-52)63(49-29-15-43(59-4)16-30-49,50-31-17-44(60-5)18-32-50)51-33-19-45(61-6)20-34-51/h7-34,36-37H,35H2,1-6H3.
What are the key properties of tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane?
tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane has a molecular weight of 863.17 g/mol, XLogP of 6.06, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methoxyphenyl)-[6-tris(4-methoxyphenyl)silyl-9H-fluoren-3-yl]silane is sourced from PubChem (CID 59469961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).