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

C33H40Si — CID 173473760

IUPAC(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](c2ccccc2)(c2ccc(C)cc2C)C2(C)C=C(C)C(C)=C2C)c1
InChIInChI=1S/C33H40Si/c1-9-28-19-29(10-2)21-31(20-28)34(30-14-12-11-13-15-30,32-17-16-23(3)18-24(32)4)33(8)22-25(5)26(6)27(33)7/h11-22H,9-10H2,1-8H3
InChIKeyGPDTZXWDCXMEFO-UHFFFAOYSA-N
MW464.77 g/mol
LogP6.96
Rot. Bonds6

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

(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473760) has the molecular formula C33H40Si and a molecular weight of 464.77 g/mol. Its IUPAC name is (3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473760
Molecular FormulaC33H40Si
Molecular Weight464.77 g/mol
Exact Mass464.29
IUPAC Name(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](c2ccccc2)(c2ccc(C)cc2C)C2(C)C=C(C)C(C)=C2C)c1
InChIInChI=1S/C33H40Si/c1-9-28-19-29(10-2)21-31(20-28)34(30-14-12-11-13-15-30,32-17-16-23(3)18-24(32)4)33(8)22-25(5)26(6)27(33)7/h11-22H,9-10H2,1-8H3
InChIKeyGPDTZXWDCXMEFO-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.77
LogP ≤ 56.96
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)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473874
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(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473659
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
(3,5-diethylphenyl)-methyl-(2-methylpropyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473866
(3,5-dimethylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(4-trimethylsilylphenyl)silane
CID 173474312
(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane
CID 173473215
tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473927

Frequently Asked Questions

What is the IUPAC name of (3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473760) is (3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CCc1cc(CC)cc([Si](c2ccccc2)(c2ccc(C)cc2C)C2(C)C=C(C)C(C)=C2C)c1.
What is the InChIKey of (3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is GPDTZXWDCXMEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40Si/c1-9-28-19-29(10-2)21-31(20-28)34(30-14-12-11-13-15-30,32-17-16-23(3)18-24(32)4)33(8)22-25(5)26(6)27(33)7/h11-22H,9-10H2,1-8H3.
What are the key properties of (3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 464.77 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).