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

C35H44Si — CID 123421770

IUPAC(3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](C2=C(C)C(C)=C(C)C2C)(c2ccc(C)cc2C)c2ccc(C)cc2C)c1
InChIInChI=1S/C35H44Si/c1-11-30-19-31(12-2)21-32(20-30)36(33-15-13-22(3)17-24(33)5,34-16-14-23(4)18-25(34)6)35-28(9)26(7)27(8)29(35)10/h13-21,28H,11-12H2,1-10H3
InChIKeyQBKPVBGQZXVIFY-UHFFFAOYSA-N
MW492.82 g/mol
LogP7.36
Rot. Bonds6

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

(3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123421770) has the molecular formula C35H44Si and a molecular weight of 492.82 g/mol. Its IUPAC name is (3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123421770
Molecular FormulaC35H44Si
Molecular Weight492.82 g/mol
Exact Mass492.32
IUPAC Name(3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](C2=C(C)C(C)=C(C)C2C)(c2ccc(C)cc2C)c2ccc(C)cc2C)c1
InChIInChI=1S/C35H44Si/c1-11-30-19-31(12-2)21-32(20-30)36(33-15-13-22(3)17-24(33)5,34-16-14-23(4)18-25(34)6)35-28(9)26(7)27(8)29(35)10/h13-21,28H,11-12H2,1-10H3
InChIKeyQBKPVBGQZXVIFY-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.82
LogP ≤ 57.36
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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Frequently Asked Questions

What is the IUPAC name of (3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123421770) is (3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CCc1cc(CC)cc([Si](C2=C(C)C(C)=C(C)C2C)(c2ccc(C)cc2C)c2ccc(C)cc2C)c1.
What is the InChIKey of (3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is QBKPVBGQZXVIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44Si/c1-11-30-19-31(12-2)21-32(20-30)36(33-15-13-22(3)17-24(33)5,34-16-14-23(4)18-25(34)6)35-28(9)26(7)27(8)29(35)10/h13-21,28H,11-12H2,1-10H3.
What are the key properties of (3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
(3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 492.82 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethylphenyl)-bis(2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123421770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).