4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline

C60H52N2O4S4 — CID 90058088

IUPAC4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline
SMILESCOc1cc(C)sc1-c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5sc(C)cc5OC)cc4)c4ccc(-c5sc(C)cc5OC)cc4)cc3)cc2)c2ccc(-c3sc(C)cc3OC)cc2)cc1
InChIInChI=1S/C60H52N2O4S4/c1-37-33-53(63-5)57(67-37)43-13-25-49(26-14-43)61(50-27-15-44(16-28-50)58-54(64-6)34-38(2)68-58)47-21-9-41(10-22-47)42-11-23-48(24-12-42)62(51-29-17-45(18-30-51)59-55(65-7)35-39(3)69-59)52-31-19-46(20-32-52)60-56(66-8)36-40(4)70-60/h9-36H,1-8H3
InChIKeyRILVFUPFAAWNFJ-UHFFFAOYSA-N
MW993.35 g/mol
LogP18.48
Rot. Bonds15

About 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline

4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline (PubChem CID 90058088) has the molecular formula C60H52N2O4S4 and a molecular weight of 993.35 g/mol. Its IUPAC name is 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline
PubChem CID90058088
Molecular FormulaC60H52N2O4S4
Molecular Weight993.35 g/mol
Exact Mass992.28
IUPAC Name4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline
SMILESCOc1cc(C)sc1-c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5sc(C)cc5OC)cc4)c4ccc(-c5sc(C)cc5OC)cc4)cc3)cc2)c2ccc(-c3sc(C)cc3OC)cc2)cc1
InChIInChI=1S/C60H52N2O4S4/c1-37-33-53(63-5)57(67-37)43-13-25-49(26-14-43)61(50-27-15-44(16-28-50)58-54(64-6)34-38(2)68-58)47-21-9-41(10-22-47)42-11-23-48(24-12-42)62(51-29-17-45(18-30-51)59-55(65-7)35-39(3)69-59)52-31-19-46(20-32-52)60-56(66-8)36-40(4)70-60/h9-36H,1-8H3
InChIKeyRILVFUPFAAWNFJ-UHFFFAOYSA-N
XLogP18.48
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.35
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline?
The IUPAC name of 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline (CID 90058088) is 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline is COc1cc(C)sc1-c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5sc(C)cc5OC)cc4)c4ccc(-c5sc(C)cc5OC)cc4)cc3)cc2)c2ccc(-c3sc(C)cc3OC)cc2)cc1.
What is the InChIKey of 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline?
The InChIKey is RILVFUPFAAWNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2O4S4/c1-37-33-53(63-5)57(67-37)43-13-25-49(26-14-43)61(50-27-15-44(16-28-50)58-54(64-6)34-38(2)68-58)47-21-9-41(10-22-47)42-11-23-48(24-12-42)62(51-29-17-45(18-30-51)59-55(65-7)35-39(3)69-59)52-31-19-46(20-32-52)60-56(66-8)36-40(4)70-60/h9-36H,1-8H3.
What are the key properties of 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline?
4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline has a molecular weight of 993.35 g/mol, XLogP of 18.48, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-methoxy-5-methylthiophen-2-yl)-N-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 90058088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).