2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane

C24H28Br2N2Si — CID 11261107

IUPAC2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=[N+]=[N-])c1c(Br)cc(C#C[Si](C)(C)C)cc1Br
InChIInChI=1S/C24H28Br2N2Si/c1-15-11-18(24(3,4)5)12-16(2)21(15)23(28-27)22-19(25)13-17(14-20(22)26)9-10-29(6,7)8/h11-14H,1-8H3
InChIKeyJYBBQYDZUTWVCW-UHFFFAOYSA-N
MW532.40 g/mol
LogP7.42
Rot. Bonds2

About 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane

2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane (PubChem CID 11261107) has the molecular formula C24H28Br2N2Si and a molecular weight of 532.40 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane
PubChem CID11261107
Molecular FormulaC24H28Br2N2Si
Molecular Weight532.40 g/mol
Exact Mass530.04
IUPAC Name2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=[N+]=[N-])c1c(Br)cc(C#C[Si](C)(C)C)cc1Br
InChIInChI=1S/C24H28Br2N2Si/c1-15-11-18(24(3,4)5)12-16(2)21(15)23(28-27)22-19(25)13-17(14-20(22)26)9-10-29(6,7)8/h11-14H,1-8H3
InChIKeyJYBBQYDZUTWVCW-UHFFFAOYSA-N
XLogP7.42
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.40
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,3-Dibromo-5-tert-butyl-2-[[4-tert-butyl-2,6-bis(trifluoromethyl)phenyl]-diazomethyl]benzene
CID 101131946
1,3,5-Tribromo-2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]benzene
CID 11752642
1,1'-(Diazomethylene)bis(2,6-dibromo-4-tert-butylbenzene)
CID 71349692
1-(2-bromo-3,6-dimethylphenyl)-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-yn-1-imine
CID 135002302
1,3-Dibromo-2-[[2-bromo-4-tert-butyl-6-(trifluoromethyl)phenyl]-diazomethyl]-5-tert-butylbenzene
CID 101131945
1-Bromo-2-[[2-bromo-4-tert-butyl-6-(trifluoromethyl)phenyl]-diazomethyl]-5-tert-butyl-3-(trifluoromethyl)benzene
CID 101183679
1,3-Dibromo-2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-5-ethynylbenzene
CID 11224960
2-[3-Bromo-2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 11226618
2-[[4-[2-[3,5-Bis[2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl]phenyl]ethynyl]-2,6-dibromophenyl]-diazomethyl]-5-tert-butyl-1,3-dimethylbenzene
CID 11378388
2-[3,5-Bis[2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl]phenyl]ethynyl-trimethylsilane
CID 11457486
2-[3,5-Bis[2-[3,5-bis[2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-trimethylsilane
CID 16154632
2-[3,5-Dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)methyl]phenyl]ethynyl-trimethylsilane
CID 23231233

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane (CID 11261107) is 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane is Cc1cc(C(C)(C)C)cc(C)c1C(=[N+]=[N-])c1c(Br)cc(C#C[Si](C)(C)C)cc1Br.
What is the InChIKey of 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane?
The InChIKey is JYBBQYDZUTWVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Br2N2Si/c1-15-11-18(24(3,4)5)12-16(2)21(15)23(28-27)22-19(25)13-17(14-20(22)26)9-10-29(6,7)8/h11-14H,1-8H3.
What are the key properties of 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane?
2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane has a molecular weight of 532.40 g/mol, XLogP of 7.42, 2 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-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 11261107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).