bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane

C40H30Cl2Si — CID 141041116

IUPACbis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane
SMILESC[Si](C)(C1C(Cl)=Cc2c(-c3cccc4ccccc34)cccc21)C1C(Cl)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C40H30Cl2Si/c1-43(2,39-33-21-9-19-31(35(33)23-37(39)41)29-17-7-13-25-11-3-5-15-27(25)29)40-34-22-10-20-32(36(34)24-38(40)42)30-18-8-14-26-12-4-6-16-28(26)30/h3-24,39-40H,1-2H3
InChIKeyDMAPPXHHFYGYOB-UHFFFAOYSA-N
MW609.67 g/mol
LogP12.17
Rot. Bonds4

About bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane

bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane (PubChem CID 141041116) has the molecular formula C40H30Cl2Si and a molecular weight of 609.67 g/mol. Its IUPAC name is bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane
PubChem CID141041116
Molecular FormulaC40H30Cl2Si
Molecular Weight609.67 g/mol
Exact Mass608.15
IUPAC Namebis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane
SMILESC[Si](C)(C1C(Cl)=Cc2c(-c3cccc4ccccc34)cccc21)C1C(Cl)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C40H30Cl2Si/c1-43(2,39-33-21-9-19-31(35(33)23-37(39)41)29-17-7-13-25-11-3-5-15-27(25)29)40-34-22-10-20-32(36(34)24-38(40)42)30-18-8-14-26-12-4-6-16-28(26)30/h3-24,39-40H,1-2H3
InChIKeyDMAPPXHHFYGYOB-UHFFFAOYSA-N
XLogP12.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.67
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro-[dimethyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silyl]-dimethylsilane
CID 163422359
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
CID 57186607
dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane;dimethyl-bis(4-naphthalen-1-yl-1H-inden-1-yl)silane
CID 161108029
dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)silane
CID 617108
1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 22994948
1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
CID 139962865
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane (CID 141041116) is bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane is C[Si](C)(C1C(Cl)=Cc2c(-c3cccc4ccccc34)cccc21)C1C(Cl)=Cc2c(-c3cccc4ccccc34)cccc21.
What is the InChIKey of bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane?
The InChIKey is DMAPPXHHFYGYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30Cl2Si/c1-43(2,39-33-21-9-19-31(35(33)23-37(39)41)29-17-7-13-25-11-3-5-15-27(25)29)40-34-22-10-20-32(36(34)24-38(40)42)30-18-8-14-26-12-4-6-16-28(26)30/h3-24,39-40H,1-2H3.
What are the key properties of bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane?
bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 609.67 g/mol, XLogP of 12.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 141041116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).