(E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine

C60H42N6O4S3 — CID 58596552

IUPAC(E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine
SMILESC(=C/c1sc(/C=N/N=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c1OCCO2)\c1ccc(/C=C/c2sc(/C=N/N=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c2OCCO3)s1
InChIInChI=1S/C60H42N6O4S3/c1-5-13-49-45(9-1)46-10-2-6-14-50(46)65(49)41-21-17-39(18-22-41)35-61-63-37-55-59-57(67-31-33-69-59)53(72-55)29-27-43-25-26-44(71-43)28-30-54-58-60(70-34-32-68-58)56(73-54)38-64-62-36-40-19-23-42(24-20-40)66-51-15-7-3-11-47(51)48-12-4-8-16-52(48)66/h1-30,35-38H,31-34H2/b29-27+,30-28+,61-35+,62-36+,63-37+,64-38+
InChIKeyIZWVHJUPVUXDLO-HLHNIWQPSA-N
MW1007.23 g/mol
LogP14.85
Rot. Bonds12

About (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine

(E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine (PubChem CID 58596552) has the molecular formula C60H42N6O4S3 and a molecular weight of 1007.23 g/mol. Its IUPAC name is (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine
PubChem CID58596552
Molecular FormulaC60H42N6O4S3
Molecular Weight1007.23 g/mol
Exact Mass1006.24
IUPAC Name(E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine
SMILESC(=C/c1sc(/C=N/N=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c1OCCO2)\c1ccc(/C=C/c2sc(/C=N/N=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c2OCCO3)s1
InChIInChI=1S/C60H42N6O4S3/c1-5-13-49-45(9-1)46-10-2-6-14-50(46)65(49)41-21-17-39(18-22-41)35-61-63-37-55-59-57(67-31-33-69-59)53(72-55)29-27-43-25-26-44(71-43)28-30-54-58-60(70-34-32-68-58)56(73-54)38-64-62-36-40-19-23-42(24-20-40)66-51-15-7-3-11-47(51)48-12-4-8-16-52(48)66/h1-30,35-38H,31-34H2/b29-27+,30-28+,61-35+,62-36+,63-37+,64-38+
InChIKeyIZWVHJUPVUXDLO-HLHNIWQPSA-N
XLogP14.85
TPSA96.22 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.23
LogP ≤ 514.85
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 (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine (CID 58596552) is (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine is C(=C/c1sc(/C=N/N=C/c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c1OCCO2)\c1ccc(/C=C/c2sc(/C=N/N=C/c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c2OCCO3)s1.
What is the InChIKey of (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine?
The InChIKey is IZWVHJUPVUXDLO-HLHNIWQPSA-N. The full InChI is InChI=1S/C60H42N6O4S3/c1-5-13-49-45(9-1)46-10-2-6-14-50(46)65(49)41-21-17-39(18-22-41)35-61-63-37-55-59-57(67-31-33-69-59)53(72-55)29-27-43-25-26-44(71-43)28-30-54-58-60(70-34-32-68-58)56(73-54)38-64-62-36-40-19-23-42(24-20-40)66-51-15-7-3-11-47(51)48-12-4-8-16-52(48)66/h1-30,35-38H,31-34H2/b29-27+,30-28+,61-35+,62-36+,63-37+,64-38+.
What are the key properties of (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine?
(E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine has a molecular weight of 1007.23 g/mol, XLogP of 14.85, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-carbazol-9-ylphenyl)-N-[(E)-[7-[(E)-2-[5-[(E)-2-[5-[(E)-[(E)-(4-carbazol-9-ylphenyl)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]methylideneamino]methanimine is sourced from PubChem (CID 58596552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).