bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane

C50H64Si — CID 22994968

IUPACbis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
SMILESCCCCCCc1ccc(-c2cccc3c2C=C(C(C)C)C3[Si](C)(C)C2C(C(C)C)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1
InChIInChI=1S/C50H64Si/c1-9-11-13-15-19-37-25-29-39(30-26-37)41-21-17-23-43-47(41)33-45(35(3)4)49(43)51(7,8)50-44-24-18-22-42(48(44)34-46(50)36(5)6)40-31-27-38(28-32-40)20-16-14-12-10-2/h17-18,21-36,49-50H,9-16,19-20H2,1-8H3
InChIKeyRIGHJCMAQZIYHU-UHFFFAOYSA-N
MW693.15 g/mol
LogP15.03
Rot. Bonds16

About bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane

bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane (PubChem CID 22994968) has the molecular formula C50H64Si and a molecular weight of 693.15 g/mol. Its IUPAC name is bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
PubChem CID22994968
Molecular FormulaC50H64Si
Molecular Weight693.15 g/mol
Exact Mass692.48
IUPAC Namebis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
SMILESCCCCCCc1ccc(-c2cccc3c2C=C(C(C)C)C3[Si](C)(C)C2C(C(C)C)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1
InChIInChI=1S/C50H64Si/c1-9-11-13-15-19-37-25-29-39(30-26-37)41-21-17-23-43-47(41)33-45(35(3)4)49(43)51(7,8)50-44-24-18-22-42(48(44)34-46(50)36(5)6)40-31-27-38(28-32-40)20-16-14-12-10-2/h17-18,21-36,49-50H,9-16,19-20H2,1-8H3
InChIKeyRIGHJCMAQZIYHU-UHFFFAOYSA-N
XLogP15.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.15
LogP ≤ 515.03
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[2-ethyl-4-(4-pentylphenyl)-1H-inden-1-yl]-dimethylsilane
CID 22994922
dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 22994949
1-(4-octylphenyl)-5-propan-2-ylazulene
CID 19815733
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
3-(4-pentylphenyl)benzene-1,2-diol
CID 70366115
1-iodo-2-(4-octylphenyl)benzene
CID 87323299
1-ethenyl-2-(4-hexylphenyl)benzene
CID 173095750
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
1-pentadecyl-4-phenylbenzene
CID 57166115
2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane (CID 22994968) is bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane is CCCCCCc1ccc(-c2cccc3c2C=C(C(C)C)C3[Si](C)(C)C2C(C(C)C)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1.
What is the InChIKey of bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
The InChIKey is RIGHJCMAQZIYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H64Si/c1-9-11-13-15-19-37-25-29-39(30-26-37)41-21-17-23-43-47(41)33-45(35(3)4)49(43)51(7,8)50-44-24-18-22-42(48(44)34-46(50)36(5)6)40-31-27-38(28-32-40)20-16-14-12-10-2/h17-18,21-36,49-50H,9-16,19-20H2,1-8H3.
What are the key properties of bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane has a molecular weight of 693.15 g/mol, XLogP of 15.03, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 22994968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).