4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

C60H76N2O4 — CID 164792484

IUPAC4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESCOC(C)(C)CCOCCCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CCCCCCOCCC(C)(C)OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H76N2O4/c1-59(2,63-5)43-47-65-45-19-9-7-13-21-49-27-35-55(36-28-49)61(53-23-15-11-16-24-53)57-39-31-51(32-40-57)52-33-41-58(42-34-52)62(54-25-17-12-18-26-54)56-37-29-50(30-38-56)22-14-8-10-20-46-66-48-44-60(3,4)64-6/h11-12,15-18,23-42H,7-10,13-14,19-22,43-48H2,1-6H3
InChIKeyATSOLHFRELWRGI-UHFFFAOYSA-N
MW889.28 g/mol
LogP16.16
Rot. Bonds29

About 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 164792484) has the molecular formula C60H76N2O4 and a molecular weight of 889.28 g/mol. Its IUPAC name is 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID164792484
Molecular FormulaC60H76N2O4
Molecular Weight889.28 g/mol
Exact Mass888.58
IUPAC Name4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESCOC(C)(C)CCOCCCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CCCCCCOCCC(C)(C)OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H76N2O4/c1-59(2,63-5)43-47-65-45-19-9-7-13-21-49-27-35-55(36-28-49)61(53-23-15-11-16-24-53)57-39-31-51(32-40-57)52-33-41-58(42-34-52)62(54-25-17-12-18-26-54)56-37-29-50(30-38-56)22-14-8-10-20-46-66-48-44-60(3,4)64-6/h11-12,15-18,23-42H,7-10,13-14,19-22,43-48H2,1-6H3
InChIKeyATSOLHFRELWRGI-UHFFFAOYSA-N
XLogP16.16
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.28
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-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

4-[8-[(3-ethyloxetan-3-yl)methoxy]octyl]-N-[4-[4-(N-[4-[8-[(3-ethyloxetan-3-yl)methoxy]octyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 135194461
4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
8-(8-phenyloctoxy)octylbenzene
CID 56628536
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833
4-octadecoxybutylbenzene
CID 70977182
6-propoxyhexylbenzene
CID 54255597
5-pentoxypentylbenzene
CID 19046566
4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline
CID 11800072

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (CID 164792484) is 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is COC(C)(C)CCOCCCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CCCCCCOCCC(C)(C)OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is ATSOLHFRELWRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H76N2O4/c1-59(2,63-5)43-47-65-45-19-9-7-13-21-49-27-35-55(36-28-49)61(53-23-15-11-16-24-53)57-39-31-51(32-40-57)52-33-41-58(42-34-52)62(54-25-17-12-18-26-54)56-37-29-50(30-38-56)22-14-8-10-20-46-66-48-44-60(3,4)64-6/h11-12,15-18,23-42H,7-10,13-14,19-22,43-48H2,1-6H3.
What are the key properties of 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 889.28 g/mol, XLogP of 16.16, 29 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 164792484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).