N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline

C100H80F24N4O8S — CID 134467274

IUPACN,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
SMILESFC(F)(F)CCOc1ccc(N(c2ccc(OCCC(F)(F)F)cc2)c2ccc(-c3sc(-c4ccc(N(c5ccc(OCCC(F)(F)F)cc5)c5ccc(OCCC(F)(F)F)cc5)cc4)c(-c4ccc(N(c5ccc(OCCC(F)(F)F)cc5)c5ccc(OCCC(F)(F)F)cc5)cc4)c3-c3ccc(N(c4ccc(OCCC(F)(F)F)cc4)c4ccc(OCCC(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C100H80F24N4O8S/c101-93(102,103)49-57-129-81-33-17-73(18-34-81)125(74-19-35-82(36-20-74)130-58-50-94(104,105)106)69-9-1-65(2-10-69)89-90(66-3-11-70(12-4-66)126(75-21-37-83(38-22-75)131-59-51-95(107,108)109)76-23-39-84(40-24-76)132-60-52-96(110,111)112)92(68-7-15-72(16-8-68)128(79-29-45-87(46-30-79)135-63-55-99(119,120)121)80-31-47-88(48-32-80)136-64-56-100(122,123)124)137-91(89)67-5-13-71(14-6-67)127(77-25-41-85(42-26-77)133-61-53-97(113,114)115)78-27-43-86(44-28-78)134-62-54-98(116,117)118/h1-48H,49-64H2
InChIKeyOGOPTTOMUHLHJS-UHFFFAOYSA-N
MW1953.78 g/mol
LogP32.94
Rot. Bonds40

About N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline

N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline (PubChem CID 134467274) has the molecular formula C100H80F24N4O8S and a molecular weight of 1953.78 g/mol. Its IUPAC name is N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline.

Molecular Properties

Compound NameN,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
PubChem CID134467274
Molecular FormulaC100H80F24N4O8S
Molecular Weight1953.78 g/mol
Exact Mass1952.53
IUPAC NameN,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
SMILESFC(F)(F)CCOc1ccc(N(c2ccc(OCCC(F)(F)F)cc2)c2ccc(-c3sc(-c4ccc(N(c5ccc(OCCC(F)(F)F)cc5)c5ccc(OCCC(F)(F)F)cc5)cc4)c(-c4ccc(N(c5ccc(OCCC(F)(F)F)cc5)c5ccc(OCCC(F)(F)F)cc5)cc4)c3-c3ccc(N(c4ccc(OCCC(F)(F)F)cc4)c4ccc(OCCC(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C100H80F24N4O8S/c101-93(102,103)49-57-129-81-33-17-73(18-34-81)125(74-19-35-82(36-20-74)130-58-50-94(104,105)106)69-9-1-65(2-10-69)89-90(66-3-11-70(12-4-66)126(75-21-37-83(38-22-75)131-59-51-95(107,108)109)76-23-39-84(40-24-76)132-60-52-96(110,111)112)92(68-7-15-72(16-8-68)128(79-29-45-87(46-30-79)135-63-55-99(119,120)121)80-31-47-88(48-32-80)136-64-56-100(122,123)124)137-91(89)67-5-13-71(14-6-67)127(77-25-41-85(42-26-77)133-61-53-97(113,114)115)78-27-43-86(44-28-78)134-62-54-98(116,117)118/h1-48H,49-64H2
InChIKeyOGOPTTOMUHLHJS-UHFFFAOYSA-N
XLogP32.94
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds40
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.78
LogP ≤ 532.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline?
The IUPAC name of N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline (CID 134467274) is N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline.
What is the SMILES notation for N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline?
The canonical SMILES for N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline is FC(F)(F)CCOc1ccc(N(c2ccc(OCCC(F)(F)F)cc2)c2ccc(-c3sc(-c4ccc(N(c5ccc(OCCC(F)(F)F)cc5)c5ccc(OCCC(F)(F)F)cc5)cc4)c(-c4ccc(N(c5ccc(OCCC(F)(F)F)cc5)c5ccc(OCCC(F)(F)F)cc5)cc4)c3-c3ccc(N(c4ccc(OCCC(F)(F)F)cc4)c4ccc(OCCC(F)(F)F)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline?
The InChIKey is OGOPTTOMUHLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H80F24N4O8S/c101-93(102,103)49-57-129-81-33-17-73(18-34-81)125(74-19-35-82(36-20-74)130-58-50-94(104,105)106)69-9-1-65(2-10-69)89-90(66-3-11-70(12-4-66)126(75-21-37-83(38-22-75)131-59-51-95(107,108)109)76-23-39-84(40-24-76)132-60-52-96(110,111)112)92(68-7-15-72(16-8-68)128(79-29-45-87(46-30-79)135-63-55-99(119,120)121)80-31-47-88(48-32-80)136-64-56-100(122,123)124)137-91(89)67-5-13-71(14-6-67)127(77-25-41-85(42-26-77)133-61-53-97(113,114)115)78-27-43-86(44-28-78)134-62-54-98(116,117)118/h1-48H,49-64H2.
What are the key properties of N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline?
N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline has a molecular weight of 1953.78 g/mol, XLogP of 32.94, 40 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline is sourced from PubChem (CID 134467274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).