bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane

C46H56Si — CID 22994922

IUPACbis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane
SMILESCCCCCc1ccc(-c2cccc3c2C=C(CC)C3[Si](C)(C)C2C(CC)=Cc3c(-c4ccc(CCCCC)cc4)cccc32)cc1
InChIInChI=1S/C46H56Si/c1-7-11-13-17-33-23-27-37(28-24-33)39-19-15-21-41-43(39)31-35(9-3)45(41)47(5,6)46-36(10-4)32-44-40(20-16-22-42(44)46)38-29-25-34(26-30-38)18-14-12-8-2/h15-16,19-32,45-46H,7-14,17-18H2,1-6H3
InChIKeyOAGDLNXJTSSCJF-UHFFFAOYSA-N
MW637.04 g/mol
LogP13.75
Rot. Bonds14

About bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane

bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane (PubChem CID 22994922) has the molecular formula C46H56Si and a molecular weight of 637.04 g/mol. Its IUPAC name is bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane
PubChem CID22994922
Molecular FormulaC46H56Si
Molecular Weight637.04 g/mol
Exact Mass636.42
IUPAC Namebis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane
SMILESCCCCCc1ccc(-c2cccc3c2C=C(CC)C3[Si](C)(C)C2C(CC)=Cc3c(-c4ccc(CCCCC)cc4)cccc32)cc1
InChIInChI=1S/C46H56Si/c1-7-11-13-17-33-23-27-37(28-24-33)39-19-15-21-41-43(39)31-35(9-3)45(41)47(5,6)46-36(10-4)32-44-40(20-16-22-42(44)46)38-29-25-34(26-30-38)18-14-12-8-2/h15-16,19-32,45-46H,7-14,17-18H2,1-6H3
InChIKeyOAGDLNXJTSSCJF-UHFFFAOYSA-N
XLogP13.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.04
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
CID 22994968
(2-ethyl-4-phenyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140672926
3-(4-pentylphenyl)benzene-1,2-diol
CID 70366115
1-ethenyl-2-(4-hexylphenyl)benzene
CID 173095750
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
(2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride
CID 173337807
dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 22994949
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-iodo-2-(4-octylphenyl)benzene
CID 87323299
bis[2-ethyl-7-(4-pentylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane;zirconium(2+)
CID 173245558
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749

Frequently Asked Questions

What is the IUPAC name of bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane (CID 22994922) is bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane is CCCCCc1ccc(-c2cccc3c2C=C(CC)C3[Si](C)(C)C2C(CC)=Cc3c(-c4ccc(CCCCC)cc4)cccc32)cc1.
What is the InChIKey of bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane?
The InChIKey is OAGDLNXJTSSCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H56Si/c1-7-11-13-17-33-23-27-37(28-24-33)39-19-15-21-41-43(39)31-35(9-3)45(41)47(5,6)46-36(10-4)32-44-40(20-16-22-42(44)46)38-29-25-34(26-30-38)18-14-12-8-2/h15-16,19-32,45-46H,7-14,17-18H2,1-6H3.
What are the key properties of bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane?
bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane has a molecular weight of 637.04 g/mol, XLogP of 13.75, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 22994922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).