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

C61H59NO3S3 — CID 121315657

IUPAC4-[5-[4-[4-[3,4-diethyl-5-(4-hydroxyphenyl)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(O)cc5)c(CC)c4CC)cc3)c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)cc2)c1CC
InChIInChI=1S/C61H59NO3S3/c1-8-50-53(11-4)59(41-20-32-47(63)33-21-41)66-56(50)38-14-26-44(27-15-38)62(45-28-16-39(17-29-45)57-51(9-2)54(12-5)60(67-57)42-22-34-48(64)35-23-42)46-30-18-40(19-31-46)58-52(10-3)55(13-6)61(68-58)43-24-36-49(65-7)37-25-43/h14-37,63-64H,8-13H2,1-7H3
InChIKeyIMTZJELMQSTZAN-UHFFFAOYSA-N
MW950.35 g/mol
LogP18.14
Rot. Bonds16

About 4-[5-[4-[4-[3,4-diethyl-5-(4-hydroxyphenyl)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-hydroxyphenyl)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 121315657) has the molecular formula C61H59NO3S3 and a molecular weight of 950.35 g/mol. Its IUPAC name is 4-[5-[4-[4-[3,4-diethyl-5-(4-hydroxyphenyl)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-hydroxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol
PubChem CID121315657
Molecular FormulaC61H59NO3S3
Molecular Weight950.35 g/mol
Exact Mass949.37
IUPAC Name4-[5-[4-[4-[3,4-diethyl-5-(4-hydroxyphenyl)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(O)cc5)c(CC)c4CC)cc3)c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)cc2)c1CC
InChIInChI=1S/C61H59NO3S3/c1-8-50-53(11-4)59(41-20-32-47(63)33-21-41)66-56(50)38-14-26-44(27-15-38)62(45-28-16-39(17-29-45)57-51(9-2)54(12-5)60(67-57)42-22-34-48(64)35-23-42)46-30-18-40(19-31-46)58-52(10-3)55(13-6)61(68-58)43-24-36-49(65-7)37-25-43/h14-37,63-64H,8-13H2,1-7H3
InChIKeyIMTZJELMQSTZAN-UHFFFAOYSA-N
XLogP18.14
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.35
LogP ≤ 518.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-[4-[4-[3,4-diethyl-5-(4-hydroxyphenyl)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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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-[3,4-diethyl-5-(4-hydroxyphenyl)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-hydroxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol (CID 121315657) is 4-[5-[4-[4-[3,4-diethyl-5-(4-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)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(O)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-hydroxyphenyl)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 IMTZJELMQSTZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H59NO3S3/c1-8-50-53(11-4)59(41-20-32-47(63)33-21-41)66-56(50)38-14-26-44(27-15-38)62(45-28-16-39(17-29-45)57-51(9-2)54(12-5)60(67-57)42-22-34-48(64)35-23-42)46-30-18-40(19-31-46)58-52(10-3)55(13-6)61(68-58)43-24-36-49(65-7)37-25-43/h14-37,63-64H,8-13H2,1-7H3.
What are the key properties of 4-[5-[4-[4-[3,4-diethyl-5-(4-hydroxyphenyl)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-hydroxyphenyl)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 950.35 g/mol, XLogP of 18.14, 16 rotatable bonds, 2 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-hydroxyphenyl)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 121315657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).