N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline

C62H56N2 — CID 130387749

IUPACN-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline
SMILESCc1ccc(N(CC(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(CC(c5ccccc5)c5ccccc5)c5ccc(C)cc5C)cc4)cc3)cc2)c(C)c1
InChIInChI=1S/C62H56N2/c1-45-25-39-61(47(3)41-45)63(43-59(53-17-9-5-10-18-53)54-19-11-6-12-20-54)57-35-31-51(32-36-57)49-27-29-50(30-28-49)52-33-37-58(38-34-52)64(62-40-26-46(2)42-48(62)4)44-60(55-21-13-7-14-22-55)56-23-15-8-16-24-56/h5-42,59-60H,43-44H2,1-4H3
InChIKeyMVUAEIHMJUCYJO-UHFFFAOYSA-N
MW829.14 g/mol
LogP16.19
Rot. Bonds14

About N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline

N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline (PubChem CID 130387749) has the molecular formula C62H56N2 and a molecular weight of 829.14 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline
PubChem CID130387749
Molecular FormulaC62H56N2
Molecular Weight829.14 g/mol
Exact Mass828.44
IUPAC NameN-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline
SMILESCc1ccc(N(CC(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(CC(c5ccccc5)c5ccccc5)c5ccc(C)cc5C)cc4)cc3)cc2)c(C)c1
InChIInChI=1S/C62H56N2/c1-45-25-39-61(47(3)41-45)63(43-59(53-17-9-5-10-18-53)54-19-11-6-12-20-54)57-35-31-51(32-36-57)49-27-29-50(30-28-49)52-33-37-58(38-34-52)64(62-40-26-46(2)42-48(62)4)44-60(55-21-13-7-14-22-55)56-23-15-8-16-24-56/h5-42,59-60H,43-44H2,1-4H3
InChIKeyMVUAEIHMJUCYJO-UHFFFAOYSA-N
XLogP16.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.14
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline 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

2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline
CID 138572544
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
CID 142315588
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline
CID 59408570
N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
carbanide;deuterio(fluoro)methane;2,4-dimethyl-N-(2-methylpropyl)-N-phenylaniline;2,4-dimethyl-N-phenylaniline
CID 159709397
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
CID 146251465
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline
CID 173154873
ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline
CID 144663906
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
CID 58059868

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline?
The IUPAC name of N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline (CID 130387749) is N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline.
What is the SMILES notation for N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline?
The canonical SMILES for N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline is Cc1ccc(N(CC(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(CC(c5ccccc5)c5ccccc5)c5ccc(C)cc5C)cc4)cc3)cc2)c(C)c1.
What is the InChIKey of N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline?
The InChIKey is MVUAEIHMJUCYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2/c1-45-25-39-61(47(3)41-45)63(43-59(53-17-9-5-10-18-53)54-19-11-6-12-20-54)57-35-31-51(32-36-57)49-27-29-50(30-28-49)52-33-37-58(38-34-52)64(62-40-26-46(2)42-48(62)4)44-60(55-21-13-7-14-22-55)56-23-15-8-16-24-56/h5-42,59-60H,43-44H2,1-4H3.
What are the key properties of N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline?
N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline has a molecular weight of 829.14 g/mol, XLogP of 16.19, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline is sourced from PubChem (CID 130387749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).