dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane

C42H36Si — CID 12010175

IUPACdimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C42H36Si/c1-27-25-39-35(33-19-9-15-29-13-5-7-17-31(29)33)21-11-23-37(39)41(27)43(3,4)42-28(2)26-40-36(22-12-24-38(40)42)34-20-10-16-30-14-6-8-18-32(30)34/h5-26,41-42H,1-4H3
InChIKeyFOMJJCKPIDFDCV-UHFFFAOYSA-N
MW568.84 g/mol
LogP11.81
Rot. Bonds4

About dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane

dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane (PubChem CID 12010175) has the molecular formula C42H36Si and a molecular weight of 568.84 g/mol. Its IUPAC name is dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane
PubChem CID12010175
Molecular FormulaC42H36Si
Molecular Weight568.84 g/mol
Exact Mass568.26
IUPAC Namedimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C42H36Si/c1-27-25-39-35(33-19-9-15-29-13-5-7-17-31(29)33)21-11-23-37(39)41(27)43(3,4)42-28(2)26-40-36(22-12-24-38(40)42)34-20-10-16-30-14-6-8-18-32(30)34/h5-26,41-42H,1-4H3
InChIKeyFOMJJCKPIDFDCV-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.84
LogP ≤ 511.81
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 dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane?
The IUPAC name of dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane (CID 12010175) is dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane.
What is the SMILES notation for dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane?
The canonical SMILES for dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane is CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.
What is the InChIKey of dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane?
The InChIKey is FOMJJCKPIDFDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36Si/c1-27-25-39-35(33-19-9-15-29-13-5-7-17-31(29)33)21-11-23-37(39)41(27)43(3,4)42-28(2)26-40-36(22-12-24-38(40)42)34-20-10-16-30-14-6-8-18-32(30)34/h5-26,41-42H,1-4H3.
What are the key properties of dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane?
dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane has a molecular weight of 568.84 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane is sourced from PubChem (CID 12010175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).