5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine

C74H62N4O3S2 — CID 58058466

IUPAC5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(c8ccc(C)cc8)c8ccc(OC)cc8)cc7)cc6)s5)s4)cc3)cc2)cc1
InChIInChI=1S/C74H62N4O3S2/c1-51-7-21-58(22-8-51)75(62-35-41-68(79-4)42-36-62)60-27-13-54(14-28-60)56-17-31-65(32-18-56)77(64-25-11-53(3)12-26-64)73-49-47-71(82-73)72-48-50-74(83-72)78(67-39-45-70(81-6)46-40-67)66-33-19-57(20-34-66)55-15-29-61(30-16-55)76(59-23-9-52(2)10-24-59)63-37-43-69(80-5)44-38-63/h7-50H,1-6H3
InChIKeyROUAUIUXAWDPFS-UHFFFAOYSA-N
MW1119.47 g/mol
LogP21.64
Rot. Bonds18

About 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine

5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine (PubChem CID 58058466) has the molecular formula C74H62N4O3S2 and a molecular weight of 1119.47 g/mol. Its IUPAC name is 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine
PubChem CID58058466
Molecular FormulaC74H62N4O3S2
Molecular Weight1119.47 g/mol
Exact Mass1118.43
IUPAC Name5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(c8ccc(C)cc8)c8ccc(OC)cc8)cc7)cc6)s5)s4)cc3)cc2)cc1
InChIInChI=1S/C74H62N4O3S2/c1-51-7-21-58(22-8-51)75(62-35-41-68(79-4)42-36-62)60-27-13-54(14-28-60)56-17-31-65(32-18-56)77(64-25-11-53(3)12-26-64)73-49-47-71(82-73)72-48-50-74(83-72)78(67-39-45-70(81-6)46-40-67)66-33-19-57(20-34-66)55-15-29-61(30-16-55)76(59-23-9-52(2)10-24-59)63-37-43-69(80-5)44-38-63/h7-50H,1-6H3
InChIKeyROUAUIUXAWDPFS-UHFFFAOYSA-N
XLogP21.64
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.47
LogP ≤ 521.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(4-methoxyphenyl)(5-{5-[bis(4-methoxyphenyl)amino](2-thienyl)}(2-thienyl))a mine
CID 12966102
4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline
CID 122480460
2',7'-Bis(bis(4-methoxyphenyl)amino)spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,9-fluorene]
CID 132938793
2,5-bis(2-ethylhexyl)-1,4-bis[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 135027076
2-[3-cyano-5-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[5-[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile
CID 89187724
4,4'-(2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis[N,N-bis(4-methoxyphenyl)aniline]
CID 102130343
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
N,N-bis[4-(3,3,3-trifluoropropoxy)phenyl]-4-[2,4,5-tris[4-[4-(3,3,3-trifluoropropoxy)-N-[4-(3,3,3-trifluoropropoxy)phenyl]anilino]phenyl]thiophen-3-yl]aniline
CID 134467274
4-[4-[2-[5-[4-[3,5-Bis[4-(4-aminophenoxy)phenyl]-1,3,5-triazinan-1-yl]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]aniline
CID 135351644
2,3,5,6-tetrafluoro-4-[5-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenol
CID 141704101
N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 159506969
3-[4,10-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ylidene]-4,4,4-trifluorobutan-2-one
CID 164005597

Frequently Asked Questions

What is the IUPAC name of 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine?
The IUPAC name of 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine (CID 58058466) is 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine.
What is the SMILES notation for 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine?
The canonical SMILES for 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine is COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(c8ccc(C)cc8)c8ccc(OC)cc8)cc7)cc6)s5)s4)cc3)cc2)cc1.
What is the InChIKey of 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine?
The InChIKey is ROUAUIUXAWDPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62N4O3S2/c1-51-7-21-58(22-8-51)75(62-35-41-68(79-4)42-36-62)60-27-13-54(14-28-60)56-17-31-65(32-18-56)77(64-25-11-53(3)12-26-64)73-49-47-71(82-73)72-48-50-74(83-72)78(67-39-45-70(81-6)46-40-67)66-33-19-57(20-34-66)55-15-29-61(30-16-55)76(59-23-9-52(2)10-24-59)63-37-43-69(80-5)44-38-63/h7-50H,1-6H3.
What are the key properties of 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine?
5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine has a molecular weight of 1119.47 g/mol, XLogP of 21.64, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]thiophen-2-yl]-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)thiophen-2-amine is sourced from PubChem (CID 58058466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).