bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane

C38H40Si — CID 154364351

IUPACbis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane
SMILESCCCc1cccc2c1C=C(C)C2[Si](c1ccccc1)(c1ccccc1)C1C(C)=Cc2c(CCC)cccc21
InChIInChI=1S/C38H40Si/c1-5-15-29-17-13-23-33-35(29)25-27(3)37(33)39(31-19-9-7-10-20-31,32-21-11-8-12-22-32)38-28(4)26-36-30(16-6-2)18-14-24-34(36)38/h7-14,17-26,37-38H,5-6,15-16H2,1-4H3
InChIKeyMELNQFZPVPSCDU-UHFFFAOYSA-N
MW524.82 g/mol
LogP8.63
Rot. Bonds8

About bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane

bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane (PubChem CID 154364351) has the molecular formula C38H40Si and a molecular weight of 524.82 g/mol. Its IUPAC name is bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane.

Molecular Properties

Compound Namebis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane
PubChem CID154364351
Molecular FormulaC38H40Si
Molecular Weight524.82 g/mol
Exact Mass524.29
IUPAC Namebis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane
SMILESCCCc1cccc2c1C=C(C)C2[Si](c1ccccc1)(c1ccccc1)C1C(C)=Cc2c(CCC)cccc21
InChIInChI=1S/C38H40Si/c1-5-15-29-17-13-23-33-35(29)25-27(3)37(33)39(31-19-9-7-10-20-31,32-21-11-8-12-22-32)38-28(4)26-36-30(16-6-2)18-14-24-34(36)38/h7-14,17-26,37-38H,5-6,15-16H2,1-4H3
InChIKeyMELNQFZPVPSCDU-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.82
LogP ≤ 58.63
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

bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 174143315
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
CID 57186607
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane
CID 58897750
dimethyl-[(1R)-2-methyl-4-pyrrol-1-yl-1H-inden-1-yl]-[(1S)-2-methyl-4-pyrrol-1-yl-1H-inden-1-yl]silane
CID 68772600
dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)silane
CID 617108
triphenyl-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 140852226
(2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane
CID 102398548
chloro-bis(2-methyl-1H-inden-1-yl)-phenylsilane
CID 54510679
1-bromo-2-methyl-3-propylbenzene
CID 143344358
chloro-[dimethyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silyl]-dimethylsilane
CID 163422359
2-[(2R)-aziridin-2-yl]-6-propylphenol
CID 165358418

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane?
The IUPAC name of bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane (CID 154364351) is bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane.
What is the SMILES notation for bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane?
The canonical SMILES for bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane is CCCc1cccc2c1C=C(C)C2[Si](c1ccccc1)(c1ccccc1)C1C(C)=Cc2c(CCC)cccc21.
What is the InChIKey of bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane?
The InChIKey is MELNQFZPVPSCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40Si/c1-5-15-29-17-13-23-33-35(29)25-27(3)37(33)39(31-19-9-7-10-20-31,32-21-11-8-12-22-32)38-28(4)26-36-30(16-6-2)18-14-24-34(36)38/h7-14,17-26,37-38H,5-6,15-16H2,1-4H3.
What are the key properties of bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane?
bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane has a molecular weight of 524.82 g/mol, XLogP of 8.63, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane is sourced from PubChem (CID 154364351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).