N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline

C116H117N5O9 — CID 159401366

About N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline

N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline (PubChem CID 159401366) has the molecular formula C116H117N5O9 and a molecular weight of 1725.24 g/mol. Its IUPAC name is N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline
• PubChem CID: 159401366
• Molecular Formula: C116H117N5O9
• Molecular Weight: 1725.24 g/mol
• Exact Mass: 1723.89
• IUPAC Name: N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline
• SMILES: CN(c1cccc(OCCCCOCC2(C)COC2)c1)c1cccc(Oc2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc(OCCCCOCC4(C)COC4)c3)cc2)c1.Cc1ccc(-c2ccc(N(c3ccccc3)c3cccc(OCCCCCCOc4cccc(N(c5ccccc5)c5ccccc5)c4)c3)cc2)cc1
• InChI: InChI=1S/C67H71N3O7.C49H46N2O2/c1-66(48-73-49-66)46-71-39-10-12-41-75-63-24-14-21-59(43-63)68(3)60-22-15-26-65(44-60)77-62-37-35-58(36-38-62)70(61-23-16-25-64(45-61)76-42-13-11-40-72-47-67(2)50-74-51-67)57-33-29-53(30-34-57)52-27-31-56(32-28-52)69(54-17-6-4-7-18-54)55-19-8-5-9-20-55;1-39-27-29-40(30-28-39)41-31-33-45(34-32-41)51(44-21-11-6-12-22-44)47-24-16-26-49(38-47)53-36-14-3-2-13-35-52-48-25-15-23-46(37-48)50(42-17-7-4-8-18-42)43-19-9-5-10-20-43/h4-9,14-38,43-45H,10-13,39-42,46-51H2,1-3H3;4-12,15-34,37-38H,2-3,13-14,35-36H2,1H3
• InChIKey: LNJNFQNVRWWZEL-UHFFFAOYSA-N
• XLogP: 29.90
• TPSA: 99.27 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 43
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1725.24
LogP ≤ 5	29.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline?

The IUPAC name of N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline (CID 159401366) is N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline.

What is the SMILES notation for N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline?

The canonical SMILES for N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline is CN(c1cccc(OCCCCOCC2(C)COC2)c1)c1cccc(Oc2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc(OCCCCOCC4(C)COC4)c3)cc2)c1.Cc1ccc(-c2ccc(N(c3ccccc3)c3cccc(OCCCCCCOc4cccc(N(c5ccccc5)c5ccccc5)c4)c3)cc2)cc1.

What is the InChIKey of N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline?

The InChIKey is LNJNFQNVRWWZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H71N3O7.C49H46N2O2/c1-66(48-73-49-66)46-71-39-10-12-41-75-63-24-14-21-59(43-63)68(3)60-22-15-26-65(44-60)77-62-37-35-58(36-38-62)70(61-23-16-25-64(45-61)76-42-13-11-40-72-47-67(2)50-74-51-67)57-33-29-53(30-34-57)52-27-31-56(32-28-52)69(54-17-6-4-7-18-54)55-19-8-5-9-20-55;1-39-27-29-40(30-28-39)41-31-33-45(34-32-41)51(44-21-11-6-12-22-44)47-24-16-26-49(38-47)53-36-14-3-2-13-35-52-48-25-15-23-46(37-48)50(42-17-7-4-8-18-42)43-19-9-5-10-20-43/h4-9,14-38,43-45H,10-13,39-42,46-51H2,1-3H3;4-12,15-34,37-38H,2-3,13-14,35-36H2,1H3.

What are the key properties of N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline?

N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline has a molecular weight of 1725.24 g/mol, XLogP of 29.90, 43 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline is sourced from PubChem (CID 159401366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).