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'}

Analyze 3,4-dimethyl-N-tritylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-methyl-N-tritylaniline
CID 143156765
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
1-(3,4-dimethylphenyl)-3-phenylthiourea
CID 837227
3-[3-(tritylamino)phenyl]pentanoic acid
CID 21477141
2-(3,4-dimethylanilino)-2-methylpentanoic acid
CID 71564825
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191557
[4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol
CID 67679535
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997
4-(3,4-dimethylanilino)benzoic acid
CID 62230347
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513

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).