N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine

C36H24N2S4 — CID 134472282

IUPACN-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5sccc5s4)cc3)cc2)c2cc3sccc3s2)cc1
InChIInChI=1S/C36H24N2S4/c1-3-7-27(8-4-1)37(35-23-33-31(41-35)19-21-39-33)29-15-11-25(12-16-29)26-13-17-30(18-14-26)38(28-9-5-2-6-10-28)36-24-34-32(42-36)20-22-40-34/h1-24H
InChIKeySGJIFWZPGQTTGU-UHFFFAOYSA-N
MW612.87 g/mol
LogP12.85
Rot. Bonds7

About N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine

N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine (PubChem CID 134472282) has the molecular formula C36H24N2S4 and a molecular weight of 612.87 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine
PubChem CID134472282
Molecular FormulaC36H24N2S4
Molecular Weight612.87 g/mol
Exact Mass612.08
IUPAC NameN-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5sccc5s4)cc3)cc2)c2cc3sccc3s2)cc1
InChIInChI=1S/C36H24N2S4/c1-3-7-27(8-4-1)37(35-23-33-31(41-35)19-21-39-33)29-15-11-25(12-16-29)26-13-17-30(18-14-26)38(28-9-5-2-6-10-28)36-24-34-32(42-36)20-22-40-34/h1-24H
InChIKeySGJIFWZPGQTTGU-UHFFFAOYSA-N
XLogP12.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.87
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N,6-N,6-N-tetraphenylthieno[2,3-f][1]benzothiole-2,6-diamine
CID 177268718
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene
CID 67633739
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
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
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,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-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine?
The IUPAC name of N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine (CID 134472282) is N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine?
The canonical SMILES for N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5sccc5s4)cc3)cc2)c2cc3sccc3s2)cc1.
What is the InChIKey of N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine?
The InChIKey is SGJIFWZPGQTTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S4/c1-3-7-27(8-4-1)37(35-23-33-31(41-35)19-21-39-33)29-15-11-25(12-16-29)26-13-17-30(18-14-26)38(28-9-5-2-6-10-28)36-24-34-32(42-36)20-22-40-34/h1-24H.
What are the key properties of N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine?
N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine has a molecular weight of 612.87 g/mol, XLogP of 12.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-(N-thieno[3,2-b]thiophen-5-ylanilino)phenyl]phenyl]thieno[3,2-b]thiophen-5-amine is sourced from PubChem (CID 134472282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).