2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane

C21H21Br4Si+ — CID 102267189

IUPAC2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane
SMILESCC1=C(Br)[C+](C)C(Br)=C(C)C1=C=c1c(Br)cc(=C=C[Si](C)(C)C)cc1Br
InChIInChI=1S/C21H21Br4Si/c1-12-16(13(2)21(25)14(3)20(12)24)11-17-18(22)9-15(10-19(17)23)7-8-26(4,5)6/h8-10H,1-6H3/q+1
InChIKeyPGMXPZYECPWJIJ-UHFFFAOYSA-N
MW621.10 g/mol
LogP7.28
Rot. Bonds1

About 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane

2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane (PubChem CID 102267189) has the molecular formula C21H21Br4Si+ and a molecular weight of 621.10 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane.

Molecular Properties

Compound Name2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane
PubChem CID102267189
Molecular FormulaC21H21Br4Si+
Molecular Weight621.10 g/mol
Exact Mass616.81
IUPAC Name2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane
SMILESCC1=C(Br)[C+](C)C(Br)=C(C)C1=C=c1c(Br)cc(=C=C[Si](C)(C)C)cc1Br
InChIInChI=1S/C21H21Br4Si/c1-12-16(13(2)21(25)14(3)20(12)24)11-17-18(22)9-15(10-19(17)23)7-8-26(4,5)6/h8-10H,1-6H3/q+1
InChIKeyPGMXPZYECPWJIJ-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.10
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane?
The IUPAC name of 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane (CID 102267189) is 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane.
What is the SMILES notation for 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane?
The canonical SMILES for 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane is CC1=C(Br)[C+](C)C(Br)=C(C)C1=C=c1c(Br)cc(=C=C[Si](C)(C)C)cc1Br.
What is the InChIKey of 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane?
The InChIKey is PGMXPZYECPWJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Br4Si/c1-12-16(13(2)21(25)14(3)20(12)24)11-17-18(22)9-15(10-19(17)23)7-8-26(4,5)6/h8-10H,1-6H3/q+1.
What are the key properties of 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane?
2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane has a molecular weight of 621.10 g/mol, XLogP of 7.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibromo-4-[(3,5-dibromo-2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane is sourced from PubChem (CID 102267189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).