bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C29H32Si — CID 152748439

IUPACbis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)C(C)=C1C
InChIInChI=1S/C29H32Si/c1-20-12-10-16-27(18-20)30(26-14-8-7-9-15-26,28-17-11-13-21(2)19-28)29-24(5)22(3)23(4)25(29)6/h7-19,29H,1-6H3
InChIKeyLZLXRZBYZINUOH-UHFFFAOYSA-N
MW408.66 g/mol
LogP5.83
Rot. Bonds4

About bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 152748439) has the molecular formula C29H32Si and a molecular weight of 408.66 g/mol. Its IUPAC name is bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namebis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID152748439
Molecular FormulaC29H32Si
Molecular Weight408.66 g/mol
Exact Mass408.23
IUPAC Namebis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)C(C)=C1C
InChIInChI=1S/C29H32Si/c1-20-12-10-16-27(18-20)30(26-14-8-7-9-15-26,28-17-11-13-21(2)19-28)29-24(5)22(3)23(4)25(29)6/h7-19,29H,1-6H3
InChIKeyLZLXRZBYZINUOH-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748108
dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane
CID 18695123
tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 158764980
tris(3-methylphenyl)-triphenylsilyloxysilane
CID 5140856
tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 160723764
triphenyl-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 140852226
ethyl-methyl-bis(3-methylphenyl)silane
CID 58460541
(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 141479779
dichloro-ethyl-(3-methylphenyl)silane
CID 15514735
(3-methylphenyl)-tripropylsilane
CID 101204991
(3,4-dimethylphenyl)-dimethyl-(3-methylphenyl)silane
CID 58193382
(2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123456533

Frequently Asked Questions

What is the IUPAC name of bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 152748439) is bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](c2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)C(C)=C1C.
What is the InChIKey of bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is LZLXRZBYZINUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Si/c1-20-12-10-16-27(18-20)30(26-14-8-7-9-15-26,28-17-11-13-21(2)19-28)29-24(5)22(3)23(4)25(29)6/h7-19,29H,1-6H3.
What are the key properties of bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 408.66 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 152748439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).