(3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane

C33H40Si — CID 158137449

IUPAC(3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane
SMILESCCc1cc(CC)cc([SiH](CC2=C(C)C(C)=C(C)C2c2ccccc2)c2c(C)cccc2C)c1
InChIInChI=1S/C33H40Si/c1-8-27-18-28(9-2)20-30(19-27)34(33-22(3)14-13-15-23(33)4)21-31-25(6)24(5)26(7)32(31)29-16-11-10-12-17-29/h10-20,32,34H,8-9,21H2,1-7H3
InChIKeyDGUXHOHILNXSGW-UHFFFAOYSA-N
MW464.77 g/mol
LogP7.22
Rot. Bonds7

About (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane

(3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane (PubChem CID 158137449) has the molecular formula C33H40Si and a molecular weight of 464.77 g/mol. Its IUPAC name is (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane.

Molecular Properties

Compound Name(3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane
PubChem CID158137449
Molecular FormulaC33H40Si
Molecular Weight464.77 g/mol
Exact Mass464.29
IUPAC Name(3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane
SMILESCCc1cc(CC)cc([SiH](CC2=C(C)C(C)=C(C)C2c2ccccc2)c2c(C)cccc2C)c1
InChIInChI=1S/C33H40Si/c1-8-27-18-28(9-2)20-30(19-27)34(33-22(3)14-13-15-23(33)4)21-31-25(6)24(5)26(7)32(31)29-16-11-10-12-17-29/h10-20,32,34H,8-9,21H2,1-7H3
InChIKeyDGUXHOHILNXSGW-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.77
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane?
The IUPAC name of (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane (CID 158137449) is (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane.
What is the SMILES notation for (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane?
The canonical SMILES for (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane is CCc1cc(CC)cc([SiH](CC2=C(C)C(C)=C(C)C2c2ccccc2)c2c(C)cccc2C)c1.
What is the InChIKey of (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane?
The InChIKey is DGUXHOHILNXSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40Si/c1-8-27-18-28(9-2)20-30(19-27)34(33-22(3)14-13-15-23(33)4)21-31-25(6)24(5)26(7)32(31)29-16-11-10-12-17-29/h10-20,32,34H,8-9,21H2,1-7H3.
What are the key properties of (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane?
(3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane has a molecular weight of 464.77 g/mol, XLogP of 7.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethylphenyl)-(2,6-dimethylphenyl)-[(2,3,4-trimethyl-5-phenylcyclopenta-1,3-dien-1-yl)methyl]silane is sourced from PubChem (CID 158137449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).