N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline

C28H27N — CID 167515773

IUPACN-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
SMILESCc1cc(Nc2cc(C)c(-c3ccccc3)c(C)c2)cc(C)c1-c1ccccc1
InChIInChI=1S/C28H27N/c1-19-15-25(16-20(2)27(19)23-11-7-5-8-12-23)29-26-17-21(3)28(22(4)18-26)24-13-9-6-10-14-24/h5-18,29H,1-4H3
InChIKeyZBVYNANBPRUQCW-UHFFFAOYSA-N
MW377.53 g/mol
LogP8.00
Rot. Bonds4

About N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline

N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline (PubChem CID 167515773) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
PubChem CID167515773
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC NameN-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
SMILESCc1cc(Nc2cc(C)c(-c3ccccc3)c(C)c2)cc(C)c1-c1ccccc1
InChIInChI=1S/C28H27N/c1-19-15-25(16-20(2)27(19)23-11-7-5-8-12-23)29-26-17-21(3)28(22(4)18-26)24-13-9-6-10-14-24/h5-18,29H,1-4H3
InChIKeyZBVYNANBPRUQCW-UHFFFAOYSA-N
XLogP8.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline 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

1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
3-N-(3,5-dimethyl-4-pyridin-4-ylphenyl)-2-N-phenylpyrazine-2,3-diamine;ethane
CID 144782610
4-anilino-2,6-dimethylphenol
CID 25129480
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
CID 123394751
4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol
CID 143197342
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine
CID 66739305
5-methyl-4-phenylbenzene-1,2,3-triol
CID 101299656
(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
CID 178131684
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline?
The IUPAC name of N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline (CID 167515773) is N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline.
What is the SMILES notation for N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline?
The canonical SMILES for N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline is Cc1cc(Nc2cc(C)c(-c3ccccc3)c(C)c2)cc(C)c1-c1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline?
The InChIKey is ZBVYNANBPRUQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-19-15-25(16-20(2)27(19)23-11-7-5-8-12-23)29-26-17-21(3)28(22(4)18-26)24-13-9-6-10-14-24/h5-18,29H,1-4H3.
What are the key properties of N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline?
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline has a molecular weight of 377.53 g/mol, XLogP of 8.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline is sourced from PubChem (CID 167515773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).