4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline

C64H68N2O7 — CID 139670251

IUPAC4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
SMILESCCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(Oc3ccc(Oc4ccc(Oc5ccc(N(c6ccc(OCCCC)cc6)c6ccc(OCCCC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H68N2O7/c1-5-9-45-67-55-25-13-49(14-26-55)65(50-15-27-56(28-16-50)68-46-10-6-2)53-21-33-59(34-22-53)71-61-37-41-63(42-38-61)73-64-43-39-62(40-44-64)72-60-35-23-54(24-36-60)66(51-17-29-57(30-18-51)69-47-11-7-3)52-19-31-58(32-20-52)70-48-12-8-4/h13-44H,5-12,45-48H2,1-4H3
InChIKeyDCGJAFUIDBEENL-UHFFFAOYSA-N
MW977.25 g/mol
LogP18.72
Rot. Bonds28

About 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline

4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline (PubChem CID 139670251) has the molecular formula C64H68N2O7 and a molecular weight of 977.25 g/mol. Its IUPAC name is 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline.

Molecular Properties

Compound Name4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
PubChem CID139670251
Molecular FormulaC64H68N2O7
Molecular Weight977.25 g/mol
Exact Mass976.50
IUPAC Name4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
SMILESCCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(Oc3ccc(Oc4ccc(Oc5ccc(N(c6ccc(OCCCC)cc6)c6ccc(OCCCC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H68N2O7/c1-5-9-45-67-55-25-13-49(14-26-55)65(50-15-27-56(28-16-50)68-46-10-6-2)53-21-33-59(34-22-53)71-61-37-41-63(42-38-61)73-64-43-39-62(40-44-64)72-60-35-23-54(24-36-60)66(51-17-29-57(30-18-51)69-47-11-7-3)52-19-31-58(32-20-52)70-48-12-8-4/h13-44H,5-12,45-48H2,1-4H3
InChIKeyDCGJAFUIDBEENL-UHFFFAOYSA-N
XLogP18.72
TPSA71.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.25
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline with MolForge

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Related Compounds

4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
4-hexoxy-N-(4-hexoxyphenyl)-N-phenylaniline;yttrium
CID 140583361
1,4-dipentoxybenzene
CID 18314717
4-hexoxy-N,N-dimethylaniline
CID 19782341
N-(4-hexoxyphenyl)-4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)aniline
CID 118283118
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723
N-methyl-N-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 102225702

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline?
The IUPAC name of 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline (CID 139670251) is 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline.
What is the SMILES notation for 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline?
The canonical SMILES for 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline is CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(Oc3ccc(Oc4ccc(Oc5ccc(N(c6ccc(OCCCC)cc6)c6ccc(OCCCC)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline?
The InChIKey is DCGJAFUIDBEENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N2O7/c1-5-9-45-67-55-25-13-49(14-26-55)65(50-15-27-56(28-16-50)68-46-10-6-2)53-21-33-59(34-22-53)71-61-37-41-63(42-38-61)73-64-43-39-62(40-44-64)72-60-35-23-54(24-36-60)66(51-17-29-57(30-18-51)69-47-11-7-3)52-19-31-58(32-20-52)70-48-12-8-4/h13-44H,5-12,45-48H2,1-4H3.
What are the key properties of 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline?
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline has a molecular weight of 977.25 g/mol, XLogP of 18.72, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline is sourced from PubChem (CID 139670251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).