3,4-dimethyl-N-tritylaniline

C27H25N — CID 7122328

IUPAC3,4-dimethyl-N-tritylaniline
SMILESCc1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C27H25N/c1-21-18-19-26(20-22(21)2)28-27(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20,28H,1-2H3
InChIKeyKKOZNAFEMPKTAG-UHFFFAOYSA-N
MW363.50 g/mol
LogP6.71
Rot. Bonds5

About 3,4-dimethyl-N-tritylaniline

3,4-dimethyl-N-tritylaniline (PubChem CID 7122328) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-tritylaniline.

Molecular Properties

Compound Name3,4-dimethyl-N-tritylaniline
PubChem CID7122328
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name3,4-dimethyl-N-tritylaniline
SMILESCc1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C27H25N/c1-21-18-19-26(20-22(21)2)28-27(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20,28H,1-2H3
InChIKeyKKOZNAFEMPKTAG-UHFFFAOYSA-N
XLogP6.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-tritylaniline?
The IUPAC name of 3,4-dimethyl-N-tritylaniline (CID 7122328) is 3,4-dimethyl-N-tritylaniline.
What is the SMILES notation for 3,4-dimethyl-N-tritylaniline?
The canonical SMILES for 3,4-dimethyl-N-tritylaniline is Cc1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-tritylaniline?
The InChIKey is KKOZNAFEMPKTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-21-18-19-26(20-22(21)2)28-27(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20,28H,1-2H3.
What are the key properties of 3,4-dimethyl-N-tritylaniline?
3,4-dimethyl-N-tritylaniline has a molecular weight of 363.50 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-tritylaniline is sourced from PubChem (CID 7122328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).