N-[[7-[2-[4-[2-[5-[(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 76826432

IUPACN-[[7-[2-[4-[2-[5-[(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(=Cc1sc(C=NN=C2c3ccccc3-c3ccccc32)c2c1OCCO2)c1ccc(C=Cc2sc(C=NN=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
InChIKeyOORRKFZITBARLE-UHFFFAOYSA-N
MW818.98 g/mol
LogP11.40
Rot. Bonds8

About N-[[7-[2-[4-[2-[5-[(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

N-[[7-[2-[4-[2-[5-[(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 76826432) has the molecular formula C50H34N4O4S2 and a molecular weight of 818.98 g/mol. Its IUPAC name is N-[[7-[2-[4-[2-[5-[(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 NameN-[[7-[2-[4-[2-[5-[(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 CID76826432
Molecular FormulaC50H34N4O4S2
Molecular Weight818.98 g/mol
Exact Mass818.20
IUPAC NameN-[[7-[2-[4-[2-[5-[(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(=Cc1sc(C=NN=C2c3ccccc3-c3ccccc32)c2c1OCCO2)c1ccc(C=Cc2sc(C=NN=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
InChIKeyOORRKFZITBARLE-UHFFFAOYSA-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 N-[[7-[2-[4-[2-[5-[(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 N-[[7-[2-[4-[2-[5-[(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 N-[[7-[2-[4-[2-[5-[(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 76826432) is N-[[7-[2-[4-[2-[5-[(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 N-[[7-[2-[4-[2-[5-[(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 N-[[7-[2-[4-[2-[5-[(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(=Cc1sc(C=NN=C2c3ccccc3-c3ccccc32)c2c1OCCO2)c1ccc(C=Cc2sc(C=NN=C3c4ccccc4-c4ccccc43)c3c2OCCO3)cc1.
What is the InChIKey of N-[[7-[2-[4-[2-[5-[(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-UHFFFAOYSA-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.
What are the key properties of N-[[7-[2-[4-[2-[5-[(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?
N-[[7-[2-[4-[2-[5-[(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 N-[[7-[2-[4-[2-[5-[(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 76826432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).