2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol

C56H44N2O2S4 — CID 59863802

IUPAC2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol
SMILESOCCc1ccc(N(c2ccc(-c3cccs3)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(CCO)cc6)c6ccc(-c7cccs7)cc6)cc5)s4)s3)cc2)cc1
InChIInChI=1S/C56H44N2O2S4/c59-35-33-39-5-17-45(18-6-39)57(47-21-9-41(10-22-47)51-3-1-37-61-51)49-25-13-43(14-26-49)53-29-31-55(63-53)56-32-30-54(64-56)44-15-27-50(28-16-44)58(46-19-7-40(8-20-46)34-36-60)48-23-11-42(12-24-48)52-4-2-38-62-52/h1-32,37-38,59-60H,33-36H2
InChIKeyAXJRXCWYXAAQOT-UHFFFAOYSA-N
MW905.25 g/mol
LogP16.28
Rot. Bonds15

About 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol

2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol (PubChem CID 59863802) has the molecular formula C56H44N2O2S4 and a molecular weight of 905.25 g/mol. Its IUPAC name is 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol
PubChem CID59863802
Molecular FormulaC56H44N2O2S4
Molecular Weight905.25 g/mol
Exact Mass904.23
IUPAC Name2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol
SMILESOCCc1ccc(N(c2ccc(-c3cccs3)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(CCO)cc6)c6ccc(-c7cccs7)cc6)cc5)s4)s3)cc2)cc1
InChIInChI=1S/C56H44N2O2S4/c59-35-33-39-5-17-45(18-6-39)57(47-21-9-41(10-22-47)51-3-1-37-61-51)49-25-13-43(14-26-49)53-29-31-55(63-53)56-32-30-54(64-56)44-15-27-50(28-16-44)58(46-19-7-40(8-20-46)34-36-60)48-23-11-42(12-24-48)52-4-2-38-62-52/h1-32,37-38,59-60H,33-36H2
InChIKeyAXJRXCWYXAAQOT-UHFFFAOYSA-N
XLogP16.28
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.25
LogP ≤ 516.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol with MolForge

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Related Compounds

4-N-(4-aminophenyl)-4-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]benzene-1,4-diamine
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CID 154532963
2-[4-[4-(2-hydroxyethyl)-N-[4-(2-hydroxyethyl)phenyl]anilino]phenyl]ethanol
CID 20580135
2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580118
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline
CID 58825535
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102
[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid
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phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 164820260
4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
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CID 142376993

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol?
The IUPAC name of 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol (CID 59863802) is 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol?
The canonical SMILES for 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol is OCCc1ccc(N(c2ccc(-c3cccs3)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(CCO)cc6)c6ccc(-c7cccs7)cc6)cc5)s4)s3)cc2)cc1.
What is the InChIKey of 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol?
The InChIKey is AXJRXCWYXAAQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2O2S4/c59-35-33-39-5-17-45(18-6-39)57(47-21-9-41(10-22-47)51-3-1-37-61-51)49-25-13-43(14-26-49)53-29-31-55(63-53)56-32-30-54(64-56)44-15-27-50(28-16-44)58(46-19-7-40(8-20-46)34-36-60)48-23-11-42(12-24-48)52-4-2-38-62-52/h1-32,37-38,59-60H,33-36H2.
What are the key properties of 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol?
2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol has a molecular weight of 905.25 g/mol, XLogP of 16.28, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-[4-[5-[5-[4-[4-(2-hydroxyethyl)-N-(4-thiophen-2-ylphenyl)anilino]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-thiophen-2-ylanilino)phenyl]ethanol is sourced from PubChem (CID 59863802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).