bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane

C27H26O2Si — CID 154079895

IUPACbis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane
SMILESCOc1ccc(OC)c([Si](C)(C2=C3C=CC=CC3C=C2)C2=C3C=CC=CC3C=C2)c1
InChIInChI=1S/C27H26O2Si/c1-28-21-14-15-24(29-2)27(18-21)30(3,25-16-12-19-8-4-6-10-22(19)25)26-17-13-20-9-5-7-11-23(20)26/h4-20H,1-3H3
InChIKeyQNJDHXYCPAYWNL-UHFFFAOYSA-N
MW410.59 g/mol
LogP5.28
Rot. Bonds5

About bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane

bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane (PubChem CID 154079895) has the molecular formula C27H26O2Si and a molecular weight of 410.59 g/mol. Its IUPAC name is bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane.

Molecular Properties

Compound Namebis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane
PubChem CID154079895
Molecular FormulaC27H26O2Si
Molecular Weight410.59 g/mol
Exact Mass410.17
IUPAC Namebis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane
SMILESCOc1ccc(OC)c([Si](C)(C2=C3C=CC=CC3C=C2)C2=C3C=CC=CC3C=C2)c1
InChIInChI=1S/C27H26O2Si/c1-28-21-14-15-24(29-2)27(18-21)30(3,25-16-12-19-8-4-6-10-22(19)25)26-17-13-20-9-5-7-11-23(20)26/h4-20H,1-3H3
InChIKeyQNJDHXYCPAYWNL-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane?
The IUPAC name of bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane (CID 154079895) is bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane.
What is the SMILES notation for bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane?
The canonical SMILES for bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane is COc1ccc(OC)c([Si](C)(C2=C3C=CC=CC3C=C2)C2=C3C=CC=CC3C=C2)c1.
What is the InChIKey of bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane?
The InChIKey is QNJDHXYCPAYWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O2Si/c1-28-21-14-15-24(29-2)27(18-21)30(3,25-16-12-19-8-4-6-10-22(19)25)26-17-13-20-9-5-7-11-23(20)26/h4-20H,1-3H3.
What are the key properties of bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane?
bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane has a molecular weight of 410.59 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane is sourced from PubChem (CID 154079895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).