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

C68H76N2O6 — CID 137418235

IUPAC4-[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
SMILESCCC1(COCCCCCOCc2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCCCCCOCC6(CC)COC6)c6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)COC1
InChIInChI=1S/C68H76N2O6/c1-3-67(49-75-50-67)47-73-43-16-6-14-41-71-45-53-27-34-59(35-28-53)70(65-26-18-20-56-19-10-11-24-63(56)65)61-38-31-55(32-39-61)54-29-36-60(37-30-54)69(58-21-8-5-9-22-58)66-40-33-57(62-23-12-13-25-64(62)66)46-72-42-15-7-17-44-74-48-68(4-2)51-76-52-68/h5,8-13,18-40H,3-4,6-7,14-17,41-52H2,1-2H3
InChIKeyFSCPICFUMQVHQJ-UHFFFAOYSA-N
MW1017.36 g/mol
LogP16.86
Rot. Bonds29

About 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

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 (PubChem CID 137418235) has the molecular formula C68H76N2O6 and a molecular weight of 1017.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID137418235
Molecular FormulaC68H76N2O6
Molecular Weight1017.36 g/mol
Exact Mass1016.57
IUPAC Name4-[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
SMILESCCC1(COCCCCCOCc2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCCCCCOCC6(CC)COC6)c6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)COC1
InChIInChI=1S/C68H76N2O6/c1-3-67(49-75-50-67)47-73-43-16-6-14-41-71-45-53-27-34-59(35-28-53)70(65-26-18-20-56-19-10-11-24-63(56)65)61-38-31-55(32-39-61)54-29-36-60(37-30-54)69(58-21-8-5-9-22-58)66-40-33-57(62-23-12-13-25-64(62)66)46-72-42-15-7-17-44-74-48-68(4-2)51-76-52-68/h5,8-13,18-40H,3-4,6-7,14-17,41-52H2,1-2H3
InChIKeyFSCPICFUMQVHQJ-UHFFFAOYSA-N
XLogP16.86
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.36
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
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-ethyl-3-[5-[[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]naphtho[2,1-b][1]benzothiol-10-yl]anthracen-9-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418169
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
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
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-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418050
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
3-ethyl-3-[5-[[4-[10-[9-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]naphtho[2,3-b][1]benzothiol-2-yl]anthracen-9-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418170
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(COCCCCCOCc2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCCCCCOCC6(CC)COC6)c6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)COC1.
What is the InChIKey of 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?
The InChIKey is FSCPICFUMQVHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H76N2O6/c1-3-67(49-75-50-67)47-73-43-16-6-14-41-71-45-53-27-34-59(35-28-53)70(65-26-18-20-56-19-10-11-24-63(56)65)61-38-31-55(32-39-61)54-29-36-60(37-30-54)69(58-21-8-5-9-22-58)66-40-33-57(62-23-12-13-25-64(62)66)46-72-42-15-7-17-44-74-48-68(4-2)51-76-52-68/h5,8-13,18-40H,3-4,6-7,14-17,41-52H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1017.36 g/mol, XLogP of 16.86, 29 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137418235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).