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

C64H80N2O4 — CID 135194461

IUPAC4-[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
SMILESCCC1(COCCCCCCCCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(CCCCCCCCOCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1
InChIInChI=1S/C64H80N2O4/c1-3-63(49-69-50-63)47-67-45-21-11-7-5-9-15-23-53-29-37-59(38-30-53)65(57-25-17-13-18-26-57)61-41-33-55(34-42-61)56-35-43-62(44-36-56)66(58-27-19-14-20-28-58)60-39-31-54(32-40-60)24-16-10-6-8-12-22-46-68-48-64(4-2)51-70-52-64/h13-14,17-20,25-44H,3-12,15-16,21-24,45-52H2,1-2H3
InChIKeySJNYMVVEECZEAS-UHFFFAOYSA-N
MW941.35 g/mol
LogP16.95
Rot. Bonds31

About 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

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 (PubChem CID 135194461) has the molecular formula C64H80N2O4 and a molecular weight of 941.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID135194461
Molecular FormulaC64H80N2O4
Molecular Weight941.35 g/mol
Exact Mass940.61
IUPAC Name4-[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
SMILESCCC1(COCCCCCCCCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(CCCCCCCCOCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1
InChIInChI=1S/C64H80N2O4/c1-3-63(49-69-50-63)47-67-45-21-11-7-5-9-15-23-53-29-37-59(38-30-53)65(57-25-17-13-18-26-57)61-41-33-55(34-42-61)56-35-43-62(44-36-56)66(58-27-19-14-20-28-58)60-39-31-54(32-40-60)24-16-10-6-8-12-22-46-68-48-64(4-2)51-70-52-64/h13-14,17-20,25-44H,3-12,15-16,21-24,45-52H2,1-2H3
InChIKeySJNYMVVEECZEAS-UHFFFAOYSA-N
XLogP16.95
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.35
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-N,4-N-bis[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59372141
4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 126624960
4-(4-anilinophenyl)-2,3-bis[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexyl]phenyl]-N-phenylaniline
CID 146625561
4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-N-[4-[4-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 137418235
N-[4-[4-(N-[4-[8-[(3-ethyloxetan-3-yl)methoxy]octoxy]phenyl]-4-phenylanilino)phenyl]phenyl]-2,4-dimethyl-N-(4-phenylphenyl)aniline
CID 59012520
2,7-bis(9H-fluoren-2-yl)-2-N',7-N'-bis[4-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]phenyl]-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 123272809
4-[3-[(3-methoxyoxetan-3-yl)methoxy]propoxymethyl]-N-[4-[4-(N-[4-[3-[(3-methoxyoxetan-3-yl)methoxy]propoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 102509588
3-ethyl-3-[5-[[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418163
3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 159566916
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
3-ethyl-3-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]butoxymethyl]oxetane
CID 123246352
[4-[4-[1-[2-[4-[4-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[7-[(3-ethyloxetan-3-yl)methoxy]heptyl]benzoate
CID 140904822

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(COCCCCCCCCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(CCCCCCCCOCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.
What is the InChIKey of 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?
The InChIKey is SJNYMVVEECZEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H80N2O4/c1-3-63(49-69-50-63)47-67-45-21-11-7-5-9-15-23-53-29-37-59(38-30-53)65(57-25-17-13-18-26-57)61-41-33-55(34-42-61)56-35-43-62(44-36-56)66(58-27-19-14-20-28-58)60-39-31-54(32-40-60)24-16-10-6-8-12-22-46-68-48-64(4-2)51-70-52-64/h13-14,17-20,25-44H,3-12,15-16,21-24,45-52H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 941.35 g/mol, XLogP of 16.95, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135194461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).