3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline

C28H27N — CID 66719002

IUPAC3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline
SMILESCc1ccc(-c2ccccc2-c2ccc(N)cc2-c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C28H27N/c1-18-9-11-22(15-20(18)3)25-7-5-6-8-26(25)27-14-13-24(29)17-28(27)23-12-10-19(2)21(4)16-23/h5-17H,29H2,1-4H3
InChIKeyOUIOCHZVSYPTOG-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.50
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline

3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline (PubChem CID 66719002) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline
PubChem CID66719002
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline
SMILESCc1ccc(-c2ccccc2-c2ccc(N)cc2-c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C28H27N/c1-18-9-11-22(15-20(18)3)25-7-5-6-8-26(25)27-14-13-24(29)17-28(27)23-12-10-19(2)21(4)16-23/h5-17H,29H2,1-4H3
InChIKeyOUIOCHZVSYPTOG-UHFFFAOYSA-N
XLogP7.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Aminoanthracene
CID 11937
2,4,5-Trimethylaniline
CID 8717
1-Aminopyrene
CID 15352
1-Aminoanthracene
CID 11885
6-Aminochrysene
CID 17534
9-Aminophenanthrene
CID 13695
Xylidine
CID 56846457
Benzenamine, 4-(triphenylmethyl)-
CID 89914
2-Aminopyrene
CID 107762
4-Aminopyrene
CID 119443
4,4'-(9-Fluorenylidene)dianiline
CID 631552
2,4-Bis(p-aminobenzyl)aniline
CID 33182

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline?
The IUPAC name of 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline (CID 66719002) is 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline?
The canonical SMILES for 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline is Cc1ccc(-c2ccccc2-c2ccc(N)cc2-c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline?
The InChIKey is OUIOCHZVSYPTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-18-9-11-22(15-20(18)3)25-7-5-6-8-26(25)27-14-13-24(29)17-28(27)23-12-10-19(2)21(4)16-23/h5-17H,29H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline?
3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline has a molecular weight of 377.53 g/mol, XLogP of 7.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline is sourced from PubChem (CID 66719002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).