3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline

C28H43N — CID 4141600

IUPAC3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline
SMILESCC(C)(C)c1cc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H43N/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29-24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18,29H,1-12H3
InChIKeyRPBTURXQUMQCJP-UHFFFAOYSA-N
MW393.66 g/mol
LogP8.62
Rot. Bonds2

About 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline

3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline (PubChem CID 4141600) has the molecular formula C28H43N and a molecular weight of 393.66 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline.

Molecular Properties

Compound Name3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline
PubChem CID4141600
Molecular FormulaC28H43N
Molecular Weight393.66 g/mol
Exact Mass393.34
IUPAC Name3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline
SMILESCC(C)(C)c1cc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H43N/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29-24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18,29H,1-12H3
InChIKeyRPBTURXQUMQCJP-UHFFFAOYSA-N
XLogP8.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline?
The IUPAC name of 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline (CID 4141600) is 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline.
What is the SMILES notation for 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline?
The canonical SMILES for 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline is CC(C)(C)c1cc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline?
The InChIKey is RPBTURXQUMQCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29-24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18,29H,1-12H3.
What are the key properties of 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline?
3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline has a molecular weight of 393.66 g/mol, XLogP of 8.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)aniline is sourced from PubChem (CID 4141600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).