N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine

C48H32N4O4S3 — CID 76826425

IUPACN-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine
SMILESC(=Cc1sc(C=NN=C2c3ccccc3-c3ccccc32)c2c1OCCO2)c1ccc(C=Cc2sc(C=NN=C3c4ccccc4-c4ccccc43)c3c2OCCO3)s1
InChIInChI=1S/C48H32N4O4S3/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)43(35)51-49-27-41-47-45(53-23-25-55-47)39(58-41)21-19-29-17-18-30(57-29)20-22-40-46-48(56-26-24-54-46)42(59-40)28-50-52-44-37-15-7-3-11-33(37)34-12-4-8-16-38(34)44/h1-22,27-28H,23-26H2
InChIKeyADTIJWPKGCBMKF-UHFFFAOYSA-N
MW825.01 g/mol
LogP11.46
Rot. Bonds8

About N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine

N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine (PubChem CID 76826425) has the molecular formula C48H32N4O4S3 and a molecular weight of 825.01 g/mol. Its IUPAC name is N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine.

Molecular Properties

Compound NameN-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine
PubChem CID76826425
Molecular FormulaC48H32N4O4S3
Molecular Weight825.01 g/mol
Exact Mass824.16
IUPAC NameN-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine
SMILESC(=Cc1sc(C=NN=C2c3ccccc3-c3ccccc32)c2c1OCCO2)c1ccc(C=Cc2sc(C=NN=C3c4ccccc4-c4ccccc43)c3c2OCCO3)s1
InChIInChI=1S/C48H32N4O4S3/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)43(35)51-49-27-41-47-45(53-23-25-55-47)39(58-41)21-19-29-17-18-30(57-29)20-22-40-46-48(56-26-24-54-46)42(59-40)28-50-52-44-37-15-7-3-11-33(37)34-12-4-8-16-38(34)44/h1-22,27-28H,23-26H2
InChIKeyADTIJWPKGCBMKF-UHFFFAOYSA-N
XLogP11.46
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500825.01
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine?
The IUPAC name of N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine (CID 76826425) is N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine.
What is the SMILES notation for N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine?
The canonical SMILES for N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine is C(=Cc1sc(C=NN=C2c3ccccc3-c3ccccc32)c2c1OCCO2)c1ccc(C=Cc2sc(C=NN=C3c4ccccc4-c4ccccc43)c3c2OCCO3)s1.
What is the InChIKey of N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine?
The InChIKey is ADTIJWPKGCBMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4O4S3/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)43(35)51-49-27-41-47-45(53-23-25-55-47)39(58-41)21-19-29-17-18-30(57-29)20-22-40-46-48(56-26-24-54-46)42(59-40)28-50-52-44-37-15-7-3-11-33(37)34-12-4-8-16-38(34)44/h1-22,27-28H,23-26H2.
What are the key properties of N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine?
N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine has a molecular weight of 825.01 g/mol, XLogP of 11.46, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2-[5-[2-[5-[(fluoren-9-ylidenehydrazinylidene)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]fluoren-9-imine is sourced from PubChem (CID 76826425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).