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

C100H92F12N4O8S — CID 134463566

IUPACN,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
SMILESCCCOc1ccc(N(c2ccc(OCCC)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)cc4)c4ccc(OCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C100H92F12N4O8S/c1-5-61-117-85-41-25-77(26-42-85)113(78-27-43-86(44-28-78)118-62-6-2)73-17-9-69(10-18-73)93-94(70-11-19-74(20-12-70)114(81-33-49-89(50-34-81)121-65-57-97(101,102)103)82-35-51-90(52-36-82)122-66-58-98(104,105)106)96(125-95(93)71-13-21-75(22-14-71)115(79-29-45-87(46-30-79)119-63-7-3)80-31-47-88(48-32-80)120-64-8-4)72-15-23-76(24-16-72)116(83-37-53-91(54-38-83)123-67-59-99(107,108)109)84-39-55-92(56-40-84)124-68-60-100(110,111)112/h9-56H,5-8,57-68H2,1-4H3
InChIKeyPAOLLXMLVOKBMD-UHFFFAOYSA-N
MW1737.90 g/mol
LogP30.78
Rot. Bonds40

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

N,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline (PubChem CID 134463566) has the molecular formula C100H92F12N4O8S and a molecular weight of 1737.90 g/mol. Its IUPAC name is N,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[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-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
PubChem CID134463566
Molecular FormulaC100H92F12N4O8S
Molecular Weight1737.90 g/mol
Exact Mass1736.64
IUPAC NameN,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
SMILESCCCOc1ccc(N(c2ccc(OCCC)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)cc4)c4ccc(OCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C100H92F12N4O8S/c1-5-61-117-85-41-25-77(26-42-85)113(78-27-43-86(44-28-78)118-62-6-2)73-17-9-69(10-18-73)93-94(70-11-19-74(20-12-70)114(81-33-49-89(50-34-81)121-65-57-97(101,102)103)82-35-51-90(52-36-82)122-66-58-98(104,105)106)96(125-95(93)71-13-21-75(22-14-71)115(79-29-45-87(46-30-79)119-63-7-3)80-31-47-88(48-32-80)120-64-8-4)72-15-23-76(24-16-72)116(83-37-53-91(54-38-83)123-67-59-99(107,108)109)84-39-55-92(56-40-84)124-68-60-100(110,111)112/h9-56H,5-8,57-68H2,1-4H3
InChIKeyPAOLLXMLVOKBMD-UHFFFAOYSA-N
XLogP30.78
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds40
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001737.90
LogP ≤ 530.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[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-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[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-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline (CID 134463566) is N,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[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-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[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-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline is CCCOc1ccc(N(c2ccc(OCCC)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)cc4)c4ccc(OCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline?
The InChIKey is PAOLLXMLVOKBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H92F12N4O8S/c1-5-61-117-85-41-25-77(26-42-85)113(78-27-43-86(44-28-78)118-62-6-2)73-17-9-69(10-18-73)93-94(70-11-19-74(20-12-70)114(81-33-49-89(50-34-81)121-65-57-97(101,102)103)82-35-51-90(52-36-82)122-66-58-98(104,105)106)96(125-95(93)71-13-21-75(22-14-71)115(79-29-45-87(46-30-79)119-63-7-3)80-31-47-88(48-32-80)120-64-8-4)72-15-23-76(24-16-72)116(83-37-53-91(54-38-83)123-67-59-99(107,108)109)84-39-55-92(56-40-84)124-68-60-100(110,111)112/h9-56H,5-8,57-68H2,1-4H3.
What are the key properties of N,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline?
N,N-bis(4-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline has a molecular weight of 1737.90 g/mol, XLogP of 30.78, 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-propoxyphenyl)-4-[2-[4-(4-propoxy-N-(4-propoxyphenyl)anilino)phenyl]-4,5-bis[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline is sourced from PubChem (CID 134463566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).