N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline

C48H39NO5S6 — CID 118283115

IUPACN-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline
SMILESCCCCCCOc1ccc(N(c2ccc(-c3sc(-c4cc5sccc5s4)c4c3OCCO4)cc2)c2ccc(-c3sc(-c4cc5sccc5s4)c4c3OCCO4)cc2)cc1
InChIInChI=1S/C48H39NO5S6/c1-2-3-4-5-20-50-34-16-14-33(15-17-34)49(31-10-6-29(7-11-31)45-41-43(53-23-21-51-41)47(59-45)39-27-37-35(57-39)18-25-55-37)32-12-8-30(9-13-32)46-42-44(54-24-22-52-42)48(60-46)40-28-38-36(58-40)19-26-56-38/h6-19,25-28H,2-5,20-24H2,1H3
InChIKeyLMMIXKZFZQGLGF-UHFFFAOYSA-N
MW902.24 g/mol
LogP16.00
Rot. Bonds13

About N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline

N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline (PubChem CID 118283115) has the molecular formula C48H39NO5S6 and a molecular weight of 902.24 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline
PubChem CID118283115
Molecular FormulaC48H39NO5S6
Molecular Weight902.24 g/mol
Exact Mass901.12
IUPAC NameN-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline
SMILESCCCCCCOc1ccc(N(c2ccc(-c3sc(-c4cc5sccc5s4)c4c3OCCO4)cc2)c2ccc(-c3sc(-c4cc5sccc5s4)c4c3OCCO4)cc2)cc1
InChIInChI=1S/C48H39NO5S6/c1-2-3-4-5-20-50-34-16-14-33(15-17-34)49(31-10-6-29(7-11-31)45-41-43(53-23-21-51-41)47(59-45)39-27-37-35(57-39)18-25-55-37)32-12-8-30(9-13-32)46-42-44(54-24-22-52-42)48(60-46)40-28-38-36(58-40)19-26-56-38/h6-19,25-28H,2-5,20-24H2,1H3
InChIKeyLMMIXKZFZQGLGF-UHFFFAOYSA-N
XLogP16.00
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500902.24
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline with MolForge

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Related Compounds

2-cyano-3-[5-[7-[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]prop-2-enoic acid
CID 123193452
4-[4-hexyl-5-[5-[3-hexyl-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
CID 132518710
3-[5-[7-[4-(N-(4-butoxyphenyl)-4-propoxyanilino)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-cyanoprop-2-enoic acid
CID 123163061
N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
CID 118274774
4-[5-[7-(5-hexylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-N,N-bis[4-[5-[7-(5-hexylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]phenyl]aniline
CID 102383573
2-[(5Z)-5-[[5-[4-[4-[5-(4-hexoxyphenyl)thiophen-2-yl]-N-[4-[5-(4-hexoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 59475927
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
4-hexoxy-N,N-dimethylaniline
CID 19782341
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline?
The IUPAC name of N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline (CID 118283115) is N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline.
What is the SMILES notation for N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline?
The canonical SMILES for N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline is CCCCCCOc1ccc(N(c2ccc(-c3sc(-c4cc5sccc5s4)c4c3OCCO4)cc2)c2ccc(-c3sc(-c4cc5sccc5s4)c4c3OCCO4)cc2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline?
The InChIKey is LMMIXKZFZQGLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39NO5S6/c1-2-3-4-5-20-50-34-16-14-33(15-17-34)49(31-10-6-29(7-11-31)45-41-43(53-23-21-51-41)47(59-45)39-27-37-35(57-39)18-25-55-37)32-12-8-30(9-13-32)46-42-44(54-24-22-52-42)48(60-46)40-28-38-36(58-40)19-26-56-38/h6-19,25-28H,2-5,20-24H2,1H3.
What are the key properties of N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline?
N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline has a molecular weight of 902.24 g/mol, XLogP of 16.00, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N-[4-(5-thieno[3,2-b]thiophen-5-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]aniline is sourced from PubChem (CID 118283115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).