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

C31H36Si — CID 173473659

IUPACbis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccccc2)(c2cccc(C)c2C)c2cccc(C)c2C)C(C)=C1C
InChIInChI=1S/C31H36Si/c1-21-14-12-18-29(25(21)5)32(28-16-10-9-11-17-28,30-19-13-15-22(2)26(30)6)31(8)20-23(3)24(4)27(31)7/h9-20H,1-8H3
InChIKeyPGCYQVGQPAYKAL-UHFFFAOYSA-N
MW436.72 g/mol
LogP6.45
Rot. Bonds4

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

bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473659) has the molecular formula C31H36Si and a molecular weight of 436.72 g/mol. Its IUPAC name is bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namebis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473659
Molecular FormulaC31H36Si
Molecular Weight436.72 g/mol
Exact Mass436.26
IUPAC Namebis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccccc2)(c2cccc(C)c2C)c2cccc(C)c2C)C(C)=C1C
InChIInChI=1S/C31H36Si/c1-21-14-12-18-29(25(21)5)32(28-16-10-9-11-17-28,30-19-13-15-22(2)26(30)6)31(8)20-23(3)24(4)27(31)7/h9-20H,1-8H3
InChIKeyPGCYQVGQPAYKAL-UHFFFAOYSA-N
XLogP6.45
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 ≤ 56.45
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 bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473659) is bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC(C)([Si](c2ccccc2)(c2cccc(C)c2C)c2cccc(C)c2C)C(C)=C1C.
What is the InChIKey of bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is PGCYQVGQPAYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Si/c1-21-14-12-18-29(25(21)5)32(28-16-10-9-11-17-28,30-19-13-15-22(2)26(30)6)31(8)20-23(3)24(4)27(31)7/h9-20H,1-8H3.
What are the key properties of bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 436.72 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).