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

C34H46N2Si3 — CID 11433026

IUPAC2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=[N+]=[N-])c1c(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)cc1C#C[Si](C)(C)C
InChIInChI=1S/C34H46N2Si3/c1-25-21-30(34(3,4)5)22-26(2)31(25)33(36-35)32-28(16-19-38(9,10)11)23-27(15-18-37(6,7)8)24-29(32)17-20-39(12,13)14/h21-24H,1-14H3
InChIKeyWNROGUZSYYVWRQ-UHFFFAOYSA-N
MW567.01 g/mol
LogP8.35
Rot. Bonds2

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

2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (PubChem CID 11433026) has the molecular formula C34H46N2Si3 and a molecular weight of 567.01 g/mol. Its IUPAC name is 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
PubChem CID11433026
Molecular FormulaC34H46N2Si3
Molecular Weight567.01 g/mol
Exact Mass566.30
IUPAC Name2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=[N+]=[N-])c1c(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)cc1C#C[Si](C)(C)C
InChIInChI=1S/C34H46N2Si3/c1-25-21-30(34(3,4)5)22-26(2)31(25)33(36-35)32-28(16-19-38(9,10)11)23-27(15-18-37(6,7)8)24-29(32)17-20-39(12,13)14/h21-24H,1-14H3
InChIKeyWNROGUZSYYVWRQ-UHFFFAOYSA-N
XLogP8.35
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.01
LogP ≤ 58.35
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

1,1'-(Diazomethylene)bis(2,4,6-trimethylbenzene)
CID 13089719
2-[5-Tert-butyl-2-[8-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 10974604
5-Tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-1,3-dimethylbenzene
CID 85781904
2-[5-Tert-butyl-2-[8-[4-tert-butyl-2-(2-trimethylsilylethynyl)phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-trimethylsilane
CID 134885104
2-[4-Tert-butyl-2-[8-[5-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]octa-1,3,5,7-tetraynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 135045857
1-Tert-butyl-2-[diazo(phenyl)methyl]-3,4,5-trimethylbenzene
CID 11471887
3-(4-butyl-3-ethynylphenyl)-5-[4-(2,2-dimethylpropyl)phenyl]-4H-pyrazole
CID 168097396
1,2-Bis(2-trimethylsilylethynyl)anthracene-9,10-diimine
CID 174975761
2-[4-[[10-(4-Tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane
CID 11169162
2-[3-Bromo-2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 11226618
2-[5-(3,5-Ditert-butylphenyl)-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane
CID 11599431
1,3,5-Tritert-butyl-2-[diazo(phenyl)methyl]benzene
CID 12140638

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (CID 11433026) is 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is Cc1cc(C(C)(C)C)cc(C)c1C(=[N+]=[N-])c1c(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)cc1C#C[Si](C)(C)C.
What is the InChIKey of 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is WNROGUZSYYVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N2Si3/c1-25-21-30(34(3,4)5)22-26(2)31(25)33(36-35)32-28(16-19-38(9,10)11)23-27(15-18-37(6,7)8)24-29(32)17-20-39(12,13)14/h21-24H,1-14H3.
What are the key properties of 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 567.01 g/mol, XLogP of 8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 11433026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).