N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C65H48N2OS — CID 90057945

IUPACN-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCOc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)sc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C65H48N2OS/c1-68-63-46-64(55-30-42-61(43-31-55)66(57-34-22-51(23-35-57)47-14-6-2-7-15-47)58-36-24-52(25-37-58)48-16-8-3-9-17-48)69-65(63)56-32-44-62(45-33-56)67(59-38-26-53(27-39-59)49-18-10-4-11-19-49)60-40-28-54(29-41-60)50-20-12-5-13-21-50/h2-46H,1H3
InChIKeyGSKBUEPJPSOFEQ-UHFFFAOYSA-N
MW905.18 g/mol
LogP18.70
Rot. Bonds13

About N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90057945) has the molecular formula C65H48N2OS and a molecular weight of 905.18 g/mol. Its IUPAC name is N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID90057945
Molecular FormulaC65H48N2OS
Molecular Weight905.18 g/mol
Exact Mass904.35
IUPAC NameN-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCOc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)sc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C65H48N2OS/c1-68-63-46-64(55-30-42-61(43-31-55)66(57-34-22-51(23-35-57)47-14-6-2-7-15-47)58-36-24-52(25-37-58)48-16-8-3-9-17-48)69-65(63)56-32-44-62(45-33-56)67(59-38-26-53(27-39-59)49-18-10-4-11-19-49)60-40-28-54(29-41-60)50-20-12-5-13-21-50/h2-46H,1H3
InChIKeyGSKBUEPJPSOFEQ-UHFFFAOYSA-N
XLogP18.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.18
LogP ≤ 518.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(4-methoxyphenyl)thiophen-2-yl)-N,N-dimethylbenzenamine
CID 44408841
4-[2-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]ethynyl]-N,N-dimethylaniline
CID 25058325
4-[6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline
CID 122480460
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
4-propyl-N-(4-propylphenyl)-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline
CID 134463557
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
4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]-N-[4-[5-[4-[4-(3,3,3-trifluoropropyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]aniline
CID 134467200
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
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
E-2-tricyanovinyl-3-n-hexyl-5-(4-(bis(4-n-butylphenyl)amino)-2-methoxystyryl)-thiophene
CID 101356792
E,E-2,5-Bis(4-[bis(4-methoxyphenyl)amino]styryl)-3,4-di(n-butoxy)thiophene
CID 101585351

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 90057945) is N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is COc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)sc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is GSKBUEPJPSOFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2OS/c1-68-63-46-64(55-30-42-61(43-31-55)66(57-34-22-51(23-35-57)47-14-6-2-7-15-47)58-36-24-52(25-37-58)48-16-8-3-9-17-48)69-65(63)56-32-44-62(45-33-56)67(59-38-26-53(27-39-59)49-18-10-4-11-19-49)60-40-28-54(29-41-60)50-20-12-5-13-21-50/h2-46H,1H3.
What are the key properties of N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 905.18 g/mol, XLogP of 18.70, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-methoxy-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90057945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).