N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline

C78H60F6N4O4 — CID 59582218

IUPACN-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OC(F)(F)C(F)Oc5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(OC(F)C(C)(F)F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C78H60F6N4O4/c1-77(81,82)75(79)90-72-49-41-68(42-50-72)86(60-17-9-4-10-18-60)64-33-25-56(26-34-64)57-27-35-65(36-28-57)87(61-19-11-5-12-20-61)69-43-51-73(52-44-69)91-76(80)78(83,84)92-74-53-45-70(46-54-74)88(62-21-13-6-14-22-62)66-37-29-58(30-38-66)55-23-31-63(32-24-55)85(59-15-7-3-8-16-59)67-39-47-71(89-2)48-40-67/h3-54,75-76H,1-2H3
InChIKeyRQSNWWKESQLOEI-UHFFFAOYSA-N
MW1231.35 g/mol
LogP22.58
Rot. Bonds23

About N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline

N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline (PubChem CID 59582218) has the molecular formula C78H60F6N4O4 and a molecular weight of 1231.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline
PubChem CID59582218
Molecular FormulaC78H60F6N4O4
Molecular Weight1231.35 g/mol
Exact Mass1230.45
IUPAC NameN-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OC(F)(F)C(F)Oc5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(OC(F)C(C)(F)F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C78H60F6N4O4/c1-77(81,82)75(79)90-72-49-41-68(42-50-72)86(60-17-9-4-10-18-60)64-33-25-56(26-34-64)57-27-35-65(36-28-57)87(61-19-11-5-12-20-61)69-43-51-73(52-44-69)91-76(80)78(83,84)92-74-53-45-70(46-54-74)88(62-21-13-6-14-22-62)66-37-29-58(30-38-66)55-23-31-63(32-24-55)85(59-15-7-3-8-16-59)67-39-47-71(89-2)48-40-67/h3-54,75-76H,1-2H3
InChIKeyRQSNWWKESQLOEI-UHFFFAOYSA-N
XLogP22.58
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.35
LogP ≤ 522.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline?
The IUPAC name of N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline (CID 59582218) is N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline.
What is the SMILES notation for N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline?
The canonical SMILES for N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline is COc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OC(F)(F)C(F)Oc5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(OC(F)C(C)(F)F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline?
The InChIKey is RQSNWWKESQLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60F6N4O4/c1-77(81,82)75(79)90-72-49-41-68(42-50-72)86(60-17-9-4-10-18-60)64-33-25-56(26-34-64)57-27-35-65(36-28-57)87(61-19-11-5-12-20-61)69-43-51-73(52-44-69)91-76(80)78(83,84)92-74-53-45-70(46-54-74)88(62-21-13-6-14-22-62)66-37-29-58(30-38-66)55-23-31-63(32-24-55)85(59-15-7-3-8-16-59)67-39-47-71(89-2)48-40-67/h3-54,75-76H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline?
N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline has a molecular weight of 1231.35 g/mol, XLogP of 22.58, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-phenyl-4-[4-(N-[4-[1,1,2-trifluoro-2-[4-(N-[4-[4-(N-[4-(1,2,2-trifluoropropoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 59582218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).