3,5-dibenzhydryl-4-methoxyaniline

C33H29NO — CID 150621703

IUPAC3,5-dibenzhydryl-4-methoxyaniline
SMILESCOc1c(C(c2ccccc2)c2ccccc2)cc(N)cc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H29NO/c1-35-33-29(31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)22-28(34)23-30(33)32(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-23,31-32H,34H2,1H3
InChIKeyIWATVNZAWDKNJT-UHFFFAOYSA-N
MW455.60 g/mol
LogP7.64
Rot. Bonds7

About 3,5-dibenzhydryl-4-methoxyaniline

3,5-dibenzhydryl-4-methoxyaniline (PubChem CID 150621703) has the molecular formula C33H29NO and a molecular weight of 455.60 g/mol. Its IUPAC name is 3,5-dibenzhydryl-4-methoxyaniline.

Molecular Properties

Compound Name3,5-dibenzhydryl-4-methoxyaniline
PubChem CID150621703
Molecular FormulaC33H29NO
Molecular Weight455.60 g/mol
Exact Mass455.22
IUPAC Name3,5-dibenzhydryl-4-methoxyaniline
SMILESCOc1c(C(c2ccccc2)c2ccccc2)cc(N)cc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H29NO/c1-35-33-29(31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)22-28(34)23-30(33)32(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-23,31-32H,34H2,1H3
InChIKeyIWATVNZAWDKNJT-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 3,5-dibenzhydryl-4-methoxyaniline?
The IUPAC name of 3,5-dibenzhydryl-4-methoxyaniline (CID 150621703) is 3,5-dibenzhydryl-4-methoxyaniline.
What is the SMILES notation for 3,5-dibenzhydryl-4-methoxyaniline?
The canonical SMILES for 3,5-dibenzhydryl-4-methoxyaniline is COc1c(C(c2ccccc2)c2ccccc2)cc(N)cc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,5-dibenzhydryl-4-methoxyaniline?
The InChIKey is IWATVNZAWDKNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NO/c1-35-33-29(31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)22-28(34)23-30(33)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 3,5-dibenzhydryl-4-methoxyaniline?
3,5-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 3,5-dibenzhydryl-4-methoxyaniline is sourced from PubChem (CID 150621703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).