4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol

C62H61NO3S3 — CID 145071325

IUPAC4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)sc(-c2ccc(N(c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)cc2)c1CC
InChIInChI=1S/C62H61NO3S3/c1-9-51-54(12-4)60(42-21-33-48(64)34-22-42)67-57(51)39-15-27-45(28-16-39)63(46-29-17-40(18-30-46)58-52(10-2)55(13-5)61(68-58)43-23-35-49(65-7)36-24-43)47-31-19-41(20-32-47)59-53(11-3)56(14-6)62(69-59)44-25-37-50(66-8)38-26-44/h15-38,64H,9-14H2,1-8H3
InChIKeyOIJPUXFNVYURQT-UHFFFAOYSA-N
MW964.38 g/mol
LogP18.44
Rot. Bonds17

About 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol

4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol (PubChem CID 145071325) has the molecular formula C62H61NO3S3 and a molecular weight of 964.38 g/mol. Its IUPAC name is 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol
PubChem CID145071325
Molecular FormulaC62H61NO3S3
Molecular Weight964.38 g/mol
Exact Mass963.38
IUPAC Name4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)sc(-c2ccc(N(c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)cc2)c1CC
InChIInChI=1S/C62H61NO3S3/c1-9-51-54(12-4)60(42-21-33-48(64)34-22-42)67-57(51)39-15-27-45(28-16-39)63(46-29-17-40(18-30-46)58-52(10-2)55(13-5)61(68-58)43-23-35-49(65-7)36-24-43)47-31-19-41(20-32-47)59-53(11-3)56(14-6)62(69-59)44-25-37-50(66-8)38-26-44/h15-38,64H,9-14H2,1-8H3
InChIKeyOIJPUXFNVYURQT-UHFFFAOYSA-N
XLogP18.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.38
LogP ≤ 518.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol with MolForge

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Related Compounds

4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline
CID 121305216
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
N-[4-(3-bromopropoxy)phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline;1,3-dibromopropane;4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenol
CID 164962485
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
4-aminophenol;1-bromo-4-methoxybenzene;4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenol
CID 164988135
methane;4-methoxyphenol
CID 159494332
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
[4-(N-[4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4-methylanilino)phenyl] acetate
CID 144857344
(4-hydroxyphenyl)-[4-[4-[4-(N-(4-methoxyphenyl)-4-phenylanilino)phenyl]phenoxy]phenyl]methanone
CID 71009635

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol?
The IUPAC name of 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol (CID 145071325) is 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol.
What is the SMILES notation for 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol?
The canonical SMILES for 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol is CCc1c(-c2ccc(O)cc2)sc(-c2ccc(N(c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)cc2)c1CC.
What is the InChIKey of 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol?
The InChIKey is OIJPUXFNVYURQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H61NO3S3/c1-9-51-54(12-4)60(42-21-33-48(64)34-22-42)67-57(51)39-15-27-45(28-16-39)63(46-29-17-40(18-30-46)58-52(10-2)55(13-5)61(68-58)43-23-35-49(65-7)36-24-43)47-31-19-41(20-32-47)59-53(11-3)56(14-6)62(69-59)44-25-37-50(66-8)38-26-44/h15-38,64H,9-14H2,1-8H3.
What are the key properties of 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol?
4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol has a molecular weight of 964.38 g/mol, XLogP of 18.44, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol is sourced from PubChem (CID 145071325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).