1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole

C60H50Si2 — CID 13131416

IUPAC1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(CC[Si]2(C)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C60H50Si2/c1-61(57(49-35-19-7-20-36-49)53(45-27-11-3-12-28-45)54(46-29-13-4-14-30-46)58(61)50-37-21-8-22-38-50)43-44-62(2)59(51-39-23-9-24-40-51)55(47-31-15-5-16-32-47)56(48-33-17-6-18-34-48)60(62)52-41-25-10-26-42-52/h3-42H,43-44H2,1-2H3
InChIKeyKKIWHCCEDIDTBA-UHFFFAOYSA-N
MW827.23 g/mol
LogP15.77
Rot. Bonds11

About 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole

1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole (PubChem CID 13131416) has the molecular formula C60H50Si2 and a molecular weight of 827.23 g/mol. Its IUPAC name is 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole.

Molecular Properties

Compound Name1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
PubChem CID13131416
Molecular FormulaC60H50Si2
Molecular Weight827.23 g/mol
Exact Mass826.35
IUPAC Name1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
SMILESC[Si]1(CC[Si]2(C)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C60H50Si2/c1-61(57(49-35-19-7-20-36-49)53(45-27-11-3-12-28-45)54(46-29-13-4-14-30-46)58(61)50-37-21-8-22-38-50)43-44-62(2)59(51-39-23-9-24-40-51)55(47-31-15-5-16-32-47)56(48-33-17-6-18-34-48)60(62)52-41-25-10-26-42-52/h3-42H,43-44H2,1-2H3
InChIKeyKKIWHCCEDIDTBA-UHFFFAOYSA-N
XLogP15.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.23
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole
CID 87964675
5-[1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis(6-phenyl-3-pyridinyl)silol-1-yl]ethyl]-3,4-diphenyl-5-(6-phenyl-3-pyridinyl)silol-2-yl]-2-phenylpyridine
CID 87964885
1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
CID 12722878
7,15-dimethyl-1,2,3,4,7,10,11,12,13,15-decakis-phenyl-6,8,14,16-tetraoxa-5,7,9,15-tetrasiladispiro[4.3.49.35]hexadeca-1,3,10,12-tetraene
CID 122232420
4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline
CID 170897442
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
2,5-bis(3,4-difluorophenyl)-1-ethyl-1-methyl-3,4-diphenylsilole
CID 54384091
1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole
CID 13180868
1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole
CID 13180862
1,1,2,3-tetramethyl-4,5-diphenylsilole
CID 15329320
ethyl-[3-[1-(3-ethylsilylpropyl)-2,3,4,5-tetraphenylsilol-1-yl]propyl]silane
CID 158565683

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole?
The IUPAC name of 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole (CID 13131416) is 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole.
What is the SMILES notation for 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole?
The canonical SMILES for 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole is C[Si]1(CC[Si]2(C)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole?
The InChIKey is KKIWHCCEDIDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50Si2/c1-61(57(49-35-19-7-20-36-49)53(45-27-11-3-12-28-45)54(46-29-13-4-14-30-46)58(61)50-37-21-8-22-38-50)43-44-62(2)59(51-39-23-9-24-40-51)55(47-31-15-5-16-32-47)56(48-33-17-6-18-34-48)60(62)52-41-25-10-26-42-52/h3-42H,43-44H2,1-2H3.
What are the key properties of 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole?
1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole has a molecular weight of 827.23 g/mol, XLogP of 15.77, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole is sourced from PubChem (CID 13131416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).