benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane

C41H38Si — CID 173140107

IUPACbenzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane
SMILESCCC1=C([SiH](Cc2ccccc2)C2=C(CC)Cc3cccc(-c4ccccc4)c32)c2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C41H38Si/c1-3-30-26-34-22-14-24-36(32-18-10-6-11-19-32)38(34)40(30)42(28-29-16-8-5-9-17-29)41-31(4-2)27-35-23-15-25-37(39(35)41)33-20-12-7-13-21-33/h5-25,42H,3-4,26-28H2,1-2H3
InChIKeyRJUIIPBTPXFRRY-UHFFFAOYSA-N
MW558.84 g/mol
LogP10.25
Rot. Bonds8

About benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane

benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane (PubChem CID 173140107) has the molecular formula C41H38Si and a molecular weight of 558.84 g/mol. Its IUPAC name is benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane.

Molecular Properties

Compound Namebenzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane
PubChem CID173140107
Molecular FormulaC41H38Si
Molecular Weight558.84 g/mol
Exact Mass558.27
IUPAC Namebenzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane
SMILESCCC1=C([SiH](Cc2ccccc2)C2=C(CC)Cc3cccc(-c4ccccc4)c32)c2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C41H38Si/c1-3-30-26-34-22-14-24-36(32-18-10-6-11-19-32)38(34)40(30)42(28-29-16-8-5-9-17-29)41-31(4-2)27-35-23-15-25-37(39(35)41)33-20-12-7-13-21-33/h5-25,42H,3-4,26-28H2,1-2H3
InChIKeyRJUIIPBTPXFRRY-UHFFFAOYSA-N
XLogP10.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.84
LogP ≤ 510.25
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 benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane?
The IUPAC name of benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane (CID 173140107) is benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane.
What is the SMILES notation for benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane?
The canonical SMILES for benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane is CCC1=C([SiH](Cc2ccccc2)C2=C(CC)Cc3cccc(-c4ccccc4)c32)c2c(cccc2-c2ccccc2)C1.
What is the InChIKey of benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane?
The InChIKey is RJUIIPBTPXFRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38Si/c1-3-30-26-34-22-14-24-36(32-18-10-6-11-19-32)38(34)40(30)42(28-29-16-8-5-9-17-29)41-31(4-2)27-35-23-15-25-37(39(35)41)33-20-12-7-13-21-33/h5-25,42H,3-4,26-28H2,1-2H3.
What are the key properties of benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane?
benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane has a molecular weight of 558.84 g/mol, XLogP of 10.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane is sourced from PubChem (CID 173140107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).