bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane

C34H32Si — CID 18958376

IUPACbis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane
SMILESCc1cccc(C)c1[Si](c1c(C)cccc1C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C34H32Si/c1-23-11-9-12-24(2)33(23)35(34-25(3)13-10-14-26(34)4,31-21-19-27-15-5-7-17-29(27)31)32-22-20-28-16-6-8-18-30(28)32/h5-22,31-32H,1-4H3
InChIKeyXPPVATOTLXVYBI-UHFFFAOYSA-N
MW468.72 g/mol
LogP7.18
Rot. Bonds4

About bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane

bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane (PubChem CID 18958376) has the molecular formula C34H32Si and a molecular weight of 468.72 g/mol. Its IUPAC name is bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane.

Molecular Properties

Compound Namebis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane
PubChem CID18958376
Molecular FormulaC34H32Si
Molecular Weight468.72 g/mol
Exact Mass468.23
IUPAC Namebis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane
SMILESCc1cccc(C)c1[Si](c1c(C)cccc1C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C34H32Si/c1-23-11-9-12-24(2)33(23)35(34-25(3)13-10-14-26(34)4,31-21-19-27-15-5-7-17-29(27)31)32-22-20-28-16-6-8-18-30(28)32/h5-22,31-32H,1-4H3
InChIKeyXPPVATOTLXVYBI-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.72
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane?
The IUPAC name of bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane (CID 18958376) is bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane.
What is the SMILES notation for bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane?
The canonical SMILES for bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane is Cc1cccc(C)c1[Si](c1c(C)cccc1C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane?
The InChIKey is XPPVATOTLXVYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Si/c1-23-11-9-12-24(2)33(23)35(34-25(3)13-10-14-26(34)4,31-21-19-27-15-5-7-17-29(27)31)32-22-20-28-16-6-8-18-30(28)32/h5-22,31-32H,1-4H3.
What are the key properties of bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane?
bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane has a molecular weight of 468.72 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethylphenyl)-bis(1H-inden-1-yl)silane is sourced from PubChem (CID 18958376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).