N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline

C60H46N6O4S3 — CID 58596551

IUPACN,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline
SMILESC(=C/c1sc(/C=N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c1OCCO2)\c1ccc(/C=C/c2sc(/C=N/N=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c2OCCO3)s1
InChIInChI=1S/C60H46N6O4S3/c1-5-13-45(14-6-1)65(46-15-7-2-8-16-46)49-25-21-43(22-26-49)39-61-63-41-55-59-57(67-35-37-69-59)53(72-55)33-31-51-29-30-52(71-51)32-34-54-58-60(70-38-36-68-58)56(73-54)42-64-62-40-44-23-27-50(28-24-44)66(47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-34,39-42H,35-38H2/b33-31+,34-32+,61-39+,62-40+,63-41+,64-42+
InChIKeyUVODOPHVFWUAAB-POWDAUSRSA-N
MW1011.27 g/mol
LogP15.60
Rot. Bonds16

About N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline

N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline (PubChem CID 58596551) has the molecular formula C60H46N6O4S3 and a molecular weight of 1011.27 g/mol. Its IUPAC name is N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline
PubChem CID58596551
Molecular FormulaC60H46N6O4S3
Molecular Weight1011.27 g/mol
Exact Mass1010.27
IUPAC NameN,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline
SMILESC(=C/c1sc(/C=N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c1OCCO2)\c1ccc(/C=C/c2sc(/C=N/N=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c2OCCO3)s1
InChIInChI=1S/C60H46N6O4S3/c1-5-13-45(14-6-1)65(46-15-7-2-8-16-46)49-25-21-43(22-26-49)39-61-63-41-55-59-57(67-35-37-69-59)53(72-55)33-31-51-29-30-52(71-51)32-34-54-58-60(70-38-36-68-58)56(73-54)42-64-62-40-44-23-27-50(28-24-44)66(47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-34,39-42H,35-38H2/b33-31+,34-32+,61-39+,62-40+,63-41+,64-42+
InChIKeyUVODOPHVFWUAAB-POWDAUSRSA-N
XLogP15.60
TPSA92.84 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001011.27
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline?
The IUPAC name of N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline (CID 58596551) is N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline is C(=C/c1sc(/C=N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c1OCCO2)\c1ccc(/C=C/c2sc(/C=N/N=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c2OCCO3)s1.
What is the InChIKey of N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline?
The InChIKey is UVODOPHVFWUAAB-POWDAUSRSA-N. The full InChI is InChI=1S/C60H46N6O4S3/c1-5-13-45(14-6-1)65(46-15-7-2-8-16-46)49-25-21-43(22-26-49)39-61-63-41-55-59-57(67-35-37-69-59)53(72-55)33-31-51-29-30-52(71-51)32-34-54-58-60(70-38-36-68-58)56(73-54)42-64-62-40-44-23-27-50(28-24-44)66(47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-34,39-42H,35-38H2/b33-31+,34-32+,61-39+,62-40+,63-41+,64-42+.
What are the key properties of N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline?
N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline has a molecular weight of 1011.27 g/mol, XLogP of 15.60, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[(E)-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidenehydrazinylidene]methyl]aniline is sourced from PubChem (CID 58596551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).