tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C30H34O3Si — CID 173474365

IUPACtris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCOc1ccc([Si](c2ccc(OC)cc2)(c2ccc(OC)cc2)C2(C)C=C(C)C(C)=C2C)cc1
InChIInChI=1S/C30H34O3Si/c1-21-20-30(4,23(3)22(21)2)34(27-14-8-24(31-5)9-15-27,28-16-10-25(32-6)11-17-28)29-18-12-26(33-7)13-19-29/h8-20H,1-7H3
InChIKeyILSRSNNCEYALEA-UHFFFAOYSA-N
MW470.69 g/mol
LogP5.24
Rot. Bonds7

About tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173474365) has the molecular formula C30H34O3Si and a molecular weight of 470.69 g/mol. Its IUPAC name is tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173474365
Molecular FormulaC30H34O3Si
Molecular Weight470.69 g/mol
Exact Mass470.23
IUPAC Nametris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCOc1ccc([Si](c2ccc(OC)cc2)(c2ccc(OC)cc2)C2(C)C=C(C)C(C)=C2C)cc1
InChIInChI=1S/C30H34O3Si/c1-21-20-30(4,23(3)22(21)2)34(27-14-8-24(31-5)9-15-27,28-16-10-25(32-6)11-17-28)29-18-12-26(33-7)13-19-29/h8-20H,1-7H3
InChIKeyILSRSNNCEYALEA-UHFFFAOYSA-N
XLogP5.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.69
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173474365) is tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is COc1ccc([Si](c2ccc(OC)cc2)(c2ccc(OC)cc2)C2(C)C=C(C)C(C)=C2C)cc1.
What is the InChIKey of tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is ILSRSNNCEYALEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O3Si/c1-21-20-30(4,23(3)22(21)2)34(27-14-8-24(31-5)9-15-27,28-16-10-25(32-6)11-17-28)29-18-12-26(33-7)13-19-29/h8-20H,1-7H3.
What are the key properties of tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 470.69 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173474365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).