2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane

C40H42N2Si — CID 11169162

IUPAC2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane
SMILESCc1cc(C#C[Si](C)(C)C)cc(C)c1C(=[N+]=[N-])c1c2ccccc2c(-c2c(C)cc(C(C)(C)C)cc2C)c2ccccc12
InChIInChI=1S/C40H42N2Si/c1-25-21-29(19-20-43(8,9)10)22-26(2)36(25)39(42-41)38-33-17-13-11-15-31(33)37(32-16-12-14-18-34(32)38)35-27(3)23-30(24-28(35)4)40(5,6)7/h11-18,21-24H,1-10H3
InChIKeyYQOOTDKBORSTTK-UHFFFAOYSA-N
MW578.88 g/mol
LogP10.49
Rot. Bonds3

About 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane

2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane (PubChem CID 11169162) has the molecular formula C40H42N2Si and a molecular weight of 578.88 g/mol. Its IUPAC name is 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane
PubChem CID11169162
Molecular FormulaC40H42N2Si
Molecular Weight578.88 g/mol
Exact Mass578.31
IUPAC Name2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane
SMILESCc1cc(C#C[Si](C)(C)C)cc(C)c1C(=[N+]=[N-])c1c2ccccc2c(-c2c(C)cc(C(C)(C)C)cc2C)c2ccccc12
InChIInChI=1S/C40H42N2Si/c1-25-21-29(19-20-43(8,9)10)22-26(2)36(25)39(42-41)38-33-17-13-11-15-31(33)37(32-16-12-14-18-34(32)38)35-27(3)23-30(24-28(35)4)40(5,6)7/h11-18,21-24H,1-10H3
InChIKeyYQOOTDKBORSTTK-UHFFFAOYSA-N
XLogP10.49
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.88
LogP ≤ 510.49
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane (CID 11169162) is 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane is Cc1cc(C#C[Si](C)(C)C)cc(C)c1C(=[N+]=[N-])c1c2ccccc2c(-c2c(C)cc(C(C)(C)C)cc2C)c2ccccc12.
What is the InChIKey of 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane?
The InChIKey is YQOOTDKBORSTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N2Si/c1-25-21-29(19-20-43(8,9)10)22-26(2)36(25)39(42-41)38-33-17-13-11-15-31(33)37(32-16-12-14-18-34(32)38)35-27(3)23-30(24-28(35)4)40(5,6)7/h11-18,21-24H,1-10H3.
What are the key properties of 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane?
2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane has a molecular weight of 578.88 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]-diazomethyl]-3,5-dimethylphenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 11169162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).