2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine

C31H38N6 — CID 11836199

IUPAC2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine
SMILESCc1cccc(C)c1-n1nnnc1C1(NN(c2ccccc2)c2ccccc2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C31H38N6/c1-23-13-12-14-24(2)28(23)37-29(32-34-35-37)31(21-19-25(20-22-31)30(3,4)5)33-36(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h6-18,25,33H,19-22H2,1-5H3
InChIKeyDNQMITTUJROATB-UHFFFAOYSA-N
MW494.69 g/mol
LogP7.05
Rot. Bonds6

About 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine

2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine (PubChem CID 11836199) has the molecular formula C31H38N6 and a molecular weight of 494.69 g/mol. Its IUPAC name is 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine.

Molecular Properties

Compound Name2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine
PubChem CID11836199
Molecular FormulaC31H38N6
Molecular Weight494.69 g/mol
Exact Mass494.32
IUPAC Name2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine
SMILESCc1cccc(C)c1-n1nnnc1C1(NN(c2ccccc2)c2ccccc2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C31H38N6/c1-23-13-12-14-24(2)28(23)37-29(32-34-35-37)31(21-19-25(20-22-31)30(3,4)5)33-36(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h6-18,25,33H,19-22H2,1-5H3
InChIKeyDNQMITTUJROATB-UHFFFAOYSA-N
XLogP7.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.69
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine?
The IUPAC name of 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine (CID 11836199) is 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine.
What is the SMILES notation for 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine?
The canonical SMILES for 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine is Cc1cccc(C)c1-n1nnnc1C1(NN(c2ccccc2)c2ccccc2)CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine?
The InChIKey is DNQMITTUJROATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6/c1-23-13-12-14-24(2)28(23)37-29(32-34-35-37)31(21-19-25(20-22-31)30(3,4)5)33-36(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h6-18,25,33H,19-22H2,1-5H3.
What are the key properties of 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine?
2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine has a molecular weight of 494.69 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine is sourced from PubChem (CID 11836199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).