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

C31H36Si — CID 123456533

IUPAC(2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cccc(C)c2C)=C1C
InChIInChI=1S/C31H36Si/c1-20-17-21(2)19-29(18-20)32(28-14-10-9-11-15-28,30-16-12-13-22(3)23(30)4)31-26(7)24(5)25(6)27(31)8/h9-19,26H,1-8H3
InChIKeyDRZYTBZUKKVTHJ-UHFFFAOYSA-N
MW436.72 g/mol
LogP6.23
Rot. Bonds4

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

(2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123456533) has the molecular formula C31H36Si and a molecular weight of 436.72 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123456533
Molecular FormulaC31H36Si
Molecular Weight436.72 g/mol
Exact Mass436.26
IUPAC Name(2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cccc(C)c2C)=C1C
InChIInChI=1S/C31H36Si/c1-20-17-21(2)19-29(18-20)32(28-14-10-9-11-15-28,30-16-12-13-22(3)23(30)4)31-26(7)24(5)25(6)27(31)8/h9-19,26H,1-8H3
InChIKeyDRZYTBZUKKVTHJ-UHFFFAOYSA-N
XLogP6.23
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 ≤ 56.23
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 (2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123456533) is (2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2ccccc2)(c2cc(C)cc(C)c2)c2cccc(C)c2C)=C1C.
What is the InChIKey of (2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is DRZYTBZUKKVTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Si/c1-20-17-21(2)19-29(18-20)32(28-14-10-9-11-15-28,30-16-12-13-22(3)23(30)4)31-26(7)24(5)25(6)27(31)8/h9-19,26H,1-8H3.
What are the key properties of (2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
(2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 436.72 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123456533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).