2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole

C46H58Si — CID 18792432

IUPAC2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole
SMILESCC(C)(C)c1ccccc1C1=C(c2ccccc2C(C)(C)C)[Si](C)(C)C(c2ccccc2C(C)(C)C)=C1c1ccccc1C(C)(C)C
InChIInChI=1S/C46H58Si/c1-43(2,3)35-27-19-15-23-31(35)39-40(32-24-16-20-28-36(32)44(4,5)6)42(34-26-18-22-30-38(34)46(10,11)12)47(13,14)41(39)33-25-17-21-29-37(33)45(7,8)9/h15-30H,1-14H3
InChIKeyFVOLWTFUAKRYRY-UHFFFAOYSA-N
MW639.06 g/mol
LogP13.20
Rot. Bonds4

About 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole

2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole (PubChem CID 18792432) has the molecular formula C46H58Si and a molecular weight of 639.06 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole.

Molecular Properties

Compound Name2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole
PubChem CID18792432
Molecular FormulaC46H58Si
Molecular Weight639.06 g/mol
Exact Mass638.43
IUPAC Name2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole
SMILESCC(C)(C)c1ccccc1C1=C(c2ccccc2C(C)(C)C)[Si](C)(C)C(c2ccccc2C(C)(C)C)=C1c1ccccc1C(C)(C)C
InChIInChI=1S/C46H58Si/c1-43(2,3)35-27-19-15-23-31(35)39-40(32-24-16-20-28-36(32)44(4,5)6)42(34-26-18-22-30-38(34)46(10,11)12)47(13,14)41(39)33-25-17-21-29-37(33)45(7,8)9/h15-30H,1-14H3
InChIKeyFVOLWTFUAKRYRY-UHFFFAOYSA-N
XLogP13.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.06
LogP ≤ 513.20
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole?
The IUPAC name of 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole (CID 18792432) is 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole.
What is the SMILES notation for 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole?
The canonical SMILES for 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole is CC(C)(C)c1ccccc1C1=C(c2ccccc2C(C)(C)C)[Si](C)(C)C(c2ccccc2C(C)(C)C)=C1c1ccccc1C(C)(C)C.
What is the InChIKey of 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole?
The InChIKey is FVOLWTFUAKRYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H58Si/c1-43(2,3)35-27-19-15-23-31(35)39-40(32-24-16-20-28-36(32)44(4,5)6)42(34-26-18-22-30-38(34)46(10,11)12)47(13,14)41(39)33-25-17-21-29-37(33)45(7,8)9/h15-30H,1-14H3.
What are the key properties of 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole?
2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole has a molecular weight of 639.06 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole is sourced from PubChem (CID 18792432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).