1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole

C34H34Si — CID 54523845

IUPAC1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole
SMILESCc1ccccc1C1=C(c2ccccc2C)[Si](C)(C)C(c2ccccc2C)=C1c1ccccc1C
InChIInChI=1S/C34H34Si/c1-23-15-7-11-19-27(23)31-32(28-20-12-8-16-24(28)2)34(30-22-14-10-18-26(30)4)35(5,6)33(31)29-21-13-9-17-25(29)3/h7-22H,1-6H3
InChIKeyYRSKNRYCTLNKLE-UHFFFAOYSA-N
MW470.73 g/mol
LogP9.24
Rot. Bonds4

About 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole

1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole (PubChem CID 54523845) has the molecular formula C34H34Si and a molecular weight of 470.73 g/mol. Its IUPAC name is 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole.

Molecular Properties

Compound Name1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole
PubChem CID54523845
Molecular FormulaC34H34Si
Molecular Weight470.73 g/mol
Exact Mass470.24
IUPAC Name1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole
SMILESCc1ccccc1C1=C(c2ccccc2C)[Si](C)(C)C(c2ccccc2C)=C1c1ccccc1C
InChIInChI=1S/C34H34Si/c1-23-15-7-11-19-27(23)31-32(28-20-12-8-16-24(28)2)34(30-22-14-10-18-26(30)4)35(5,6)33(31)29-21-13-9-17-25(29)3/h7-22H,1-6H3
InChIKeyYRSKNRYCTLNKLE-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.73
LogP ≤ 59.24
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

2,3,4,5-tetrakis(2-tert-butylphenyl)-1,1-dimethylsilole
CID 18792432
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1,1-diethyl-2,5-bis(2-methylphenyl)-3,4-diphenylsilole
CID 54005136
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
1,2-xylene
CID 173422016
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole
CID 54214405
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
[2-(2-methylphenyl)phenyl]phosphane
CID 58067260
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole?
The IUPAC name of 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole (CID 54523845) is 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole.
What is the SMILES notation for 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole?
The canonical SMILES for 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole is Cc1ccccc1C1=C(c2ccccc2C)[Si](C)(C)C(c2ccccc2C)=C1c1ccccc1C.
What is the InChIKey of 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole?
The InChIKey is YRSKNRYCTLNKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Si/c1-23-15-7-11-19-27(23)31-32(28-20-12-8-16-24(28)2)34(30-22-14-10-18-26(30)4)35(5,6)33(31)29-21-13-9-17-25(29)3/h7-22H,1-6H3.
What are the key properties of 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole?
1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole has a molecular weight of 470.73 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3,4,5-tetrakis(2-methylphenyl)silole is sourced from PubChem (CID 54523845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).