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

C32H38Si — CID 173473874

IUPAC(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](c2ccccc2)(c2ccc(C)cc2)C2(C)C=C(C)C(C)=C2C)c1
InChIInChI=1S/C32H38Si/c1-8-27-19-28(9-2)21-31(20-27)33(29-13-11-10-12-14-29,30-17-15-23(3)16-18-30)32(7)22-24(4)25(5)26(32)6/h10-22H,8-9H2,1-7H3
InChIKeyJSSSXGUGNLUZPD-UHFFFAOYSA-N
MW450.74 g/mol
LogP6.65
Rot. Bonds6

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

(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473874) has the molecular formula C32H38Si and a molecular weight of 450.74 g/mol. Its IUPAC name is (3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473874
Molecular FormulaC32H38Si
Molecular Weight450.74 g/mol
Exact Mass450.27
IUPAC Name(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](c2ccccc2)(c2ccc(C)cc2)C2(C)C=C(C)C(C)=C2C)c1
InChIInChI=1S/C32H38Si/c1-8-27-19-28(9-2)21-31(20-27)33(29-13-11-10-12-14-29,30-17-15-23(3)16-18-30)32(7)22-24(4)25(5)26(32)6/h10-22H,8-9H2,1-7H3
InChIKeyJSSSXGUGNLUZPD-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.74
LogP ≤ 56.65
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

(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473760
bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473039
tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473425
bis(3,5-diethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 173473602
bis(3,5-diethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(4+)
CID 173472964
diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 18686554
bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473659
tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474365
octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473518
tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473927
carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)
CID 173473304

Frequently Asked Questions

What is the IUPAC name of (3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473874) is (3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CCc1cc(CC)cc([Si](c2ccccc2)(c2ccc(C)cc2)C2(C)C=C(C)C(C)=C2C)c1.
What is the InChIKey of (3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is JSSSXGUGNLUZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38Si/c1-8-27-19-28(9-2)21-31(20-27)33(29-13-11-10-12-14-29,30-17-15-23(3)16-18-30)32(7)22-24(4)25(5)26(32)6/h10-22H,8-9H2,1-7H3.
What are the key properties of (3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 450.74 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).