(E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine

C50H34N4O4S2 — CID 58596554

IUPAC(E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine
SMILESC(=C/c1sc(/C=N/N=C2c3ccccc3-c3ccccc32)c2c1OCCO2)\c1ccc(/C=C/c2sc(/C=N/N=C3c4ccccc4-c4ccccc43)c3c2OCCO3)cc1
InChIInChI=1S/C50H34N4O4S2/c1-5-13-37-33(9-1)34-10-2-6-14-38(34)45(37)53-51-29-43-49-47(55-25-27-57-49)41(59-43)23-21-31-17-19-32(20-18-31)22-24-42-48-50(58-28-26-56-48)44(60-42)30-52-54-46-39-15-7-3-11-35(39)36-12-4-8-16-40(36)46/h1-24,29-30H,25-28H2/b23-21+,24-22+,51-29+,52-30+
InChIKeyOORRKFZITBARLE-WHDTVPBPSA-N
MW818.98 g/mol
LogP11.40
Rot. Bonds8

About (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine

(E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine (PubChem CID 58596554) has the molecular formula C50H34N4O4S2 and a molecular weight of 818.98 g/mol. Its IUPAC name is (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine.

Molecular Properties

Compound Name(E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine
PubChem CID58596554
Molecular FormulaC50H34N4O4S2
Molecular Weight818.98 g/mol
Exact Mass818.20
IUPAC Name(E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine
SMILESC(=C/c1sc(/C=N/N=C2c3ccccc3-c3ccccc32)c2c1OCCO2)\c1ccc(/C=C/c2sc(/C=N/N=C3c4ccccc4-c4ccccc43)c3c2OCCO3)cc1
InChIInChI=1S/C50H34N4O4S2/c1-5-13-37-33(9-1)34-10-2-6-14-38(34)45(37)53-51-29-43-49-47(55-25-27-57-49)41(59-43)23-21-31-17-19-32(20-18-31)22-24-42-48-50(58-28-26-56-48)44(60-42)30-52-54-46-39-15-7-3-11-35(39)36-12-4-8-16-40(36)46/h1-24,29-30H,25-28H2/b23-21+,24-22+,51-29+,52-30+
InChIKeyOORRKFZITBARLE-WHDTVPBPSA-N
XLogP11.40
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.98
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine?
The IUPAC name of (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine (CID 58596554) is (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine.
What is the SMILES notation for (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine?
The canonical SMILES for (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine is C(=C/c1sc(/C=N/N=C2c3ccccc3-c3ccccc32)c2c1OCCO2)\c1ccc(/C=C/c2sc(/C=N/N=C3c4ccccc4-c4ccccc43)c3c2OCCO3)cc1.
What is the InChIKey of (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine?
The InChIKey is OORRKFZITBARLE-WHDTVPBPSA-N. The full InChI is InChI=1S/C50H34N4O4S2/c1-5-13-37-33(9-1)34-10-2-6-14-38(34)45(37)53-51-29-43-49-47(55-25-27-57-49)41(59-43)23-21-31-17-19-32(20-18-31)22-24-42-48-50(58-28-26-56-48)44(60-42)30-52-54-46-39-15-7-3-11-35(39)36-12-4-8-16-40(36)46/h1-24,29-30H,25-28H2/b23-21+,24-22+,51-29+,52-30+.
What are the key properties of (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine?
(E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine has a molecular weight of 818.98 g/mol, XLogP of 11.40, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-[7-[(E)-2-[4-[(E)-2-[5-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylideneamino]fluoren-9-imine is sourced from PubChem (CID 58596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).