bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane

C46H40Si — CID 139707766

IUPACbis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane
SMILESCC1=Cc2c(-c3ccccc3)ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)c4c3C(C)C(C)=C4)c2C1C
InChIInChI=1S/C46H40Si/c1-31-29-41-39(35-17-9-5-10-18-35)25-27-43(45(41)33(31)3)47(37-21-13-7-14-22-37,38-23-15-8-16-24-38)44-28-26-40(36-19-11-6-12-20-36)42-30-32(2)34(4)46(42)44/h5-30,33-34H,1-4H3
InChIKeyIZRWSQLPZNHHHK-UHFFFAOYSA-N
MW620.91 g/mol
LogP9.44
Rot. Bonds6

About bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane

bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane (PubChem CID 139707766) has the molecular formula C46H40Si and a molecular weight of 620.91 g/mol. Its IUPAC name is bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane.

Molecular Properties

Compound Namebis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane
PubChem CID139707766
Molecular FormulaC46H40Si
Molecular Weight620.91 g/mol
Exact Mass620.29
IUPAC Namebis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane
SMILESCC1=Cc2c(-c3ccccc3)ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)c4c3C(C)C(C)=C4)c2C1C
InChIInChI=1S/C46H40Si/c1-31-29-41-39(35-17-9-5-10-18-35)25-27-43(45(41)33(31)3)47(37-21-13-7-14-22-37,38-23-15-8-16-24-38)44-28-26-40(36-19-11-6-12-20-36)42-30-32(2)34(4)46(42)44/h5-30,33-34H,1-4H3
InChIKeyIZRWSQLPZNHHHK-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.91
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane?
The IUPAC name of bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane (CID 139707766) is bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane.
What is the SMILES notation for bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane?
The canonical SMILES for bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane is CC1=Cc2c(-c3ccccc3)ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)c4c3C(C)C(C)=C4)c2C1C.
What is the InChIKey of bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane?
The InChIKey is IZRWSQLPZNHHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40Si/c1-31-29-41-39(35-17-9-5-10-18-35)25-27-43(45(41)33(31)3)47(37-21-13-7-14-22-37,38-23-15-8-16-24-38)44-28-26-40(36-19-11-6-12-20-36)42-30-32(2)34(4)46(42)44/h5-30,33-34H,1-4H3.
What are the key properties of bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane?
bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane has a molecular weight of 620.91 g/mol, XLogP of 9.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane is sourced from PubChem (CID 139707766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).