bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane

C108H176N8O2 — CID 157175640

IUPACbis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)C1=Nc2cc(C(C)(C)C)ccc2C1.CC(C)(C)C1=Nc2cc(C(C)(C)C)ccc2C1.CC(C)(C)c1ccc(-c2cnc(C(C)(C)C)[nH]2)cc1.CC(C)(C)c1ccc(-c2cnc(C(C)(C)C)[nH]2)cc1
InChIInChI=1S/2C17H24N2.2C16H23N.2C15H23NO.6C2H6/c2*1-16(2,3)13-9-7-12(8-10-13)14-11-18-15(19-14)17(4,5)6;2*1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;2*1-14(2,3)11-7-9-12(10-8-11)16-13(17)15(4,5)6;6*1-2/h2*7-11H,1-6H3,(H,18,19);2*7-8,10H,9H2,1-6H3;2*7-10H,1-6H3,(H,16,17);6*1-2H3
InChIKeyANYVGELFVWKXKI-UHFFFAOYSA-N
MW1618.65 g/mol
LogP32.76
Rot. Bonds4

About bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane

bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane (PubChem CID 157175640) has the molecular formula C108H176N8O2 and a molecular weight of 1618.65 g/mol. Its IUPAC name is bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane.

Molecular Properties

Compound Namebis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane
PubChem CID157175640
Molecular FormulaC108H176N8O2
Molecular Weight1618.65 g/mol
Exact Mass1617.39
IUPAC Namebis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)C1=Nc2cc(C(C)(C)C)ccc2C1.CC(C)(C)C1=Nc2cc(C(C)(C)C)ccc2C1.CC(C)(C)c1ccc(-c2cnc(C(C)(C)C)[nH]2)cc1.CC(C)(C)c1ccc(-c2cnc(C(C)(C)C)[nH]2)cc1
InChIInChI=1S/2C17H24N2.2C16H23N.2C15H23NO.6C2H6/c2*1-16(2,3)13-9-7-12(8-10-13)14-11-18-15(19-14)17(4,5)6;2*1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;2*1-14(2,3)11-7-9-12(10-8-11)16-13(17)15(4,5)6;6*1-2/h2*7-11H,1-6H3,(H,18,19);2*7-8,10H,9H2,1-6H3;2*7-10H,1-6H3,(H,16,17);6*1-2H3
InChIKeyANYVGELFVWKXKI-UHFFFAOYSA-N
XLogP32.76
TPSA140.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001618.65
LogP ≤ 532.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane?
The IUPAC name of bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane (CID 157175640) is bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane.
What is the SMILES notation for bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane?
The canonical SMILES for bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane is CC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)C1=Nc2cc(C(C)(C)C)ccc2C1.CC(C)(C)C1=Nc2cc(C(C)(C)C)ccc2C1.CC(C)(C)c1ccc(-c2cnc(C(C)(C)C)[nH]2)cc1.CC(C)(C)c1ccc(-c2cnc(C(C)(C)C)[nH]2)cc1.
What is the InChIKey of bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane?
The InChIKey is ANYVGELFVWKXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H24N2.2C16H23N.2C15H23NO.6C2H6/c2*1-16(2,3)13-9-7-12(8-10-13)14-11-18-15(19-14)17(4,5)6;2*1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;2*1-14(2,3)11-7-9-12(10-8-11)16-13(17)15(4,5)6;6*1-2/h2*7-11H,1-6H3,(H,18,19);2*7-8,10H,9H2,1-6H3;2*7-10H,1-6H3,(H,16,17);6*1-2H3.
What are the key properties of bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane?
bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane has a molecular weight of 1618.65 g/mol, XLogP of 32.76, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-5-(4-tert-butylphenyl)-1H-imidazole);bis(N-(4-tert-butylphenyl)-2,2-dimethylpropanamide);bis(2,6-ditert-butyl-3H-indole);ethane is sourced from PubChem (CID 157175640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).