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

C31H36Si — CID 152748108

IUPACbis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C
InChIInChI=1S/C31H36Si/c1-20-14-21(2)17-29(16-20)32(28-12-10-9-11-13-28,30-18-22(3)15-23(4)19-30)31-26(7)24(5)25(6)27(31)8/h9-19,31H,1-8H3
InChIKeyLDNDZVDXVCRJSC-UHFFFAOYSA-N
MW436.72 g/mol
LogP6.45
Rot. Bonds4

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

bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 152748108) has the molecular formula C31H36Si and a molecular weight of 436.72 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID152748108
Molecular FormulaC31H36Si
Molecular Weight436.72 g/mol
Exact Mass436.26
IUPAC Namebis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C
InChIInChI=1S/C31H36Si/c1-20-14-21(2)17-29(16-20)32(28-12-10-9-11-13-28,30-18-22(3)15-23(4)19-30)31-26(7)24(5)25(6)27(31)8/h9-19,31H,1-8H3
InChIKeyLDNDZVDXVCRJSC-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.72
LogP ≤ 56.45
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-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748439
tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 160723764
tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 158764980
(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 141479779
triphenyl-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 140852226
(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123824449
2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol
CID 102299898
(2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123456533
(3,5-dimethylphenyl)-diphenyl-propoxysilane
CID 87533547
[bis(4-methylphenyl)-phenylsilyl]-bis(4-methylphenyl)-phenylsilane
CID 5077893
(4-methylphenyl)-diphenyl-triphenylsilylsilane
CID 4518674
iodobenzene;1,3,5-trimethylbenzene;hydrobromide
CID 175079627

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 152748108) is bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C.
What is the InChIKey of bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is LDNDZVDXVCRJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Si/c1-20-14-21(2)17-29(16-20)32(28-12-10-9-11-13-28,30-18-22(3)15-23(4)19-30)31-26(7)24(5)25(6)27(31)8/h9-19,31H,1-8H3.
What are the key properties of bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 436.72 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 152748108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).