N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine

C48H34N2OS2 — CID 122659597

IUPACN,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine
SMILESc1ccc(-c2ccsc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5sccc5-c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C48H34N2OS2/c1-5-13-35(14-6-1)43-31-33-52-47(43)49(39-17-9-3-10-18-39)41-25-21-37(22-26-41)45-29-30-46(51-45)38-23-27-42(28-24-38)50(40-19-11-4-12-20-40)48-44(32-34-53-48)36-15-7-2-8-16-36/h1-34H
InChIKeyQYANVSATHZSGAI-UHFFFAOYSA-N
MW718.95 g/mol
LogP15.01
Rot. Bonds10

About N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine

N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine (PubChem CID 122659597) has the molecular formula C48H34N2OS2 and a molecular weight of 718.95 g/mol. Its IUPAC name is N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine.

Molecular Properties

Compound NameN,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine
PubChem CID122659597
Molecular FormulaC48H34N2OS2
Molecular Weight718.95 g/mol
Exact Mass718.21
IUPAC NameN,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine
SMILESc1ccc(-c2ccsc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5sccc5-c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C48H34N2OS2/c1-5-13-35(14-6-1)43-31-33-52-47(43)49(39-17-9-3-10-18-39)41-25-21-37(22-26-41)45-29-30-46(51-45)38-23-27-42(28-24-38)50(40-19-11-4-12-20-40)48-44(32-34-53-48)36-15-7-2-8-16-36/h1-34H
InChIKeyQYANVSATHZSGAI-UHFFFAOYSA-N
XLogP15.01
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.95
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
CID 59721904
1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
CID 59721887
N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 102013805
N-[4-[4-(N-(3,4-diphenylthiophen-2-yl)anilino)phenyl]phenyl]-N,3,4-triphenylthiophen-2-amine
CID 102269957
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
3-bromo-N,N-diphenylthiophen-2-amine
CID 167081658
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine?
The IUPAC name of N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine (CID 122659597) is N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine.
What is the SMILES notation for N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine?
The canonical SMILES for N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine is c1ccc(-c2ccsc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5sccc5-c5ccccc5)cc4)o3)cc2)cc1.
What is the InChIKey of N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine?
The InChIKey is QYANVSATHZSGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2OS2/c1-5-13-35(14-6-1)43-31-33-52-47(43)49(39-17-9-3-10-18-39)41-25-21-37(22-26-41)45-29-30-46(51-45)38-23-27-42(28-24-38)50(40-19-11-4-12-20-40)48-44(32-34-53-48)36-15-7-2-8-16-36/h1-34H.
What are the key properties of N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine?
N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine has a molecular weight of 718.95 g/mol, XLogP of 15.01, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-N-[4-[5-[4-(N-(3-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine is sourced from PubChem (CID 122659597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).