1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole

C64H58Si2 — CID 14661892

IUPAC1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
SMILESCC(C)(C)[Si]1([Si]2(C(C)(C)C)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C64H58Si2/c1-63(2,3)65(59(51-39-23-11-24-40-51)55(47-31-15-7-16-32-47)56(48-33-17-8-18-34-48)60(65)52-41-25-12-26-42-52)66(64(4,5)6)61(53-43-27-13-28-44-53)57(49-35-19-9-20-36-49)58(50-37-21-10-22-38-50)62(66)54-45-29-14-30-46-54/h7-46H,1-6H3
InChIKeyYVZRTZOYEJTSJR-UHFFFAOYSA-N
MW883.34 g/mol
LogP17.19
Rot. Bonds9

About 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole

1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole (PubChem CID 14661892) has the molecular formula C64H58Si2 and a molecular weight of 883.34 g/mol. Its IUPAC name is 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole.

Molecular Properties

Compound Name1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
PubChem CID14661892
Molecular FormulaC64H58Si2
Molecular Weight883.34 g/mol
Exact Mass882.41
IUPAC Name1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
SMILESCC(C)(C)[Si]1([Si]2(C(C)(C)C)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C64H58Si2/c1-63(2,3)65(59(51-39-23-11-24-40-51)55(47-31-15-7-16-32-47)56(48-33-17-8-18-34-48)60(65)52-41-25-12-26-42-52)66(64(4,5)6)61(53-43-27-13-28-44-53)57(49-35-19-9-20-36-49)58(50-37-21-10-22-38-50)62(66)54-45-29-14-30-46-54/h7-46H,1-6H3
InChIKeyYVZRTZOYEJTSJR-UHFFFAOYSA-N
XLogP17.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.34
LogP ≤ 517.19
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

1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
CID 12722878
tert-butyl-(1-chloro-2,3,4,5-tetraphenylsilol-1-yl)-dimethylsilane
CID 101263165
1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
CID 13131416
2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene
CID 102191393
4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline
CID 170897442
tritert-butyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)-λ5-phosphane
CID 178070741
[6-[1-tert-butyl-1,3,4-triphenyl-5-(6-trimethylsilyl-2-pyridinyl)silol-2-yl]-2-pyridinyl]-trimethylsilane
CID 18792371
1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole
CID 13180868
CID 24862664
CID 24862664
1-tert-butyl-1,3,4-triphenyl-2,5-bis[2-(trifluoromethyl)phenyl]silole
CID 18792369
1-(diazomethyl)-1-methyl-2,3,4,5-tetraphenylsilole
CID 13180862

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole?
The IUPAC name of 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole (CID 14661892) is 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole.
What is the SMILES notation for 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole?
The canonical SMILES for 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole is CC(C)(C)[Si]1([Si]2(C(C)(C)C)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole?
The InChIKey is YVZRTZOYEJTSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58Si2/c1-63(2,3)65(59(51-39-23-11-24-40-51)55(47-31-15-7-16-32-47)56(48-33-17-8-18-34-48)60(65)52-41-25-12-26-42-52)66(64(4,5)6)61(53-43-27-13-28-44-53)57(49-35-19-9-20-36-49)58(50-37-21-10-22-38-50)62(66)54-45-29-14-30-46-54/h7-46H,1-6H3.
What are the key properties of 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole?
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole has a molecular weight of 883.34 g/mol, XLogP of 17.19, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole is sourced from PubChem (CID 14661892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).