2,6-dibenzhydryl-4-methoxyaniline

C33H29NO — CID 131873578

IUPAC2,6-dibenzhydryl-4-methoxyaniline
SMILESCOc1cc(C(c2ccccc2)c2ccccc2)c(N)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H29NO/c1-35-28-22-29(31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)33(34)30(23-28)32(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-23,31-32H,34H2,1H3
InChIKeyJEWCJMKABQBVIB-UHFFFAOYSA-N
MW455.60 g/mol
LogP7.64
Rot. Bonds7

About 2,6-dibenzhydryl-4-methoxyaniline

2,6-dibenzhydryl-4-methoxyaniline (PubChem CID 131873578) has the molecular formula C33H29NO and a molecular weight of 455.60 g/mol. Its IUPAC name is 2,6-dibenzhydryl-4-methoxyaniline.

Molecular Properties

Compound Name2,6-dibenzhydryl-4-methoxyaniline
PubChem CID131873578
Molecular FormulaC33H29NO
Molecular Weight455.60 g/mol
Exact Mass455.22
IUPAC Name2,6-dibenzhydryl-4-methoxyaniline
SMILESCOc1cc(C(c2ccccc2)c2ccccc2)c(N)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H29NO/c1-35-28-22-29(31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)33(34)30(23-28)32(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-23,31-32H,34H2,1H3
InChIKeyJEWCJMKABQBVIB-UHFFFAOYSA-N
XLogP7.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibenzhydryl-4-methoxyaniline?
The IUPAC name of 2,6-dibenzhydryl-4-methoxyaniline (CID 131873578) is 2,6-dibenzhydryl-4-methoxyaniline.
What is the SMILES notation for 2,6-dibenzhydryl-4-methoxyaniline?
The canonical SMILES for 2,6-dibenzhydryl-4-methoxyaniline is COc1cc(C(c2ccccc2)c2ccccc2)c(N)c(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2,6-dibenzhydryl-4-methoxyaniline?
The InChIKey is JEWCJMKABQBVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NO/c1-35-28-22-29(31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)33(34)30(23-28)32(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-23,31-32H,34H2,1H3.
What are the key properties of 2,6-dibenzhydryl-4-methoxyaniline?
2,6-dibenzhydryl-4-methoxyaniline has a molecular weight of 455.60 g/mol, XLogP of 7.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibenzhydryl-4-methoxyaniline is sourced from PubChem (CID 131873578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).