(Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol

C44H46N4O4S2 — CID 139219876

IUPAC(Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol
SMILESO/C(=C\C(NNc1ccccc1)c1cccs1)c1ccc(OCCCCCCOc2ccc(/C(O)=C/C(NNc3ccccc3)c3cccs3)cc2)cc1
InChIInChI=1S/C44H46N4O4S2/c49-41(31-39(43-17-11-29-53-43)47-45-35-13-5-3-6-14-35)33-19-23-37(24-20-33)51-27-9-1-2-10-28-52-38-25-21-34(22-26-38)42(50)32-40(44-18-12-30-54-44)48-46-36-15-7-4-8-16-36/h3-8,11-26,29-32,39-40,45-50H,1-2,9-10,27-28H2/b41-31-,42-32-
InChIKeyRJLZVWDWGSQLSF-CMRZERMZSA-N
MW759.01 g/mol
LogP11.34
Rot. Bonds21

About (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol

(Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol (PubChem CID 139219876) has the molecular formula C44H46N4O4S2 and a molecular weight of 759.01 g/mol. Its IUPAC name is (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol
PubChem CID139219876
Molecular FormulaC44H46N4O4S2
Molecular Weight759.01 g/mol
Exact Mass758.30
IUPAC Name(Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol
SMILESO/C(=C\C(NNc1ccccc1)c1cccs1)c1ccc(OCCCCCCOc2ccc(/C(O)=C/C(NNc3ccccc3)c3cccs3)cc2)cc1
InChIInChI=1S/C44H46N4O4S2/c49-41(31-39(43-17-11-29-53-43)47-45-35-13-5-3-6-14-35)33-19-23-37(24-20-33)51-27-9-1-2-10-28-52-38-25-21-34(22-26-38)42(50)32-40(44-18-12-30-54-44)48-46-36-15-7-4-8-16-36/h3-8,11-26,29-32,39-40,45-50H,1-2,9-10,27-28H2/b41-31-,42-32-
InChIKeyRJLZVWDWGSQLSF-CMRZERMZSA-N
XLogP11.34
TPSA107.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500759.01
LogP ≤ 511.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol with MolForge

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Related Compounds

3-(2-phenylhydrazinyl)-1-[4-[12-[4-[3-(2-phenylhydrazinyl)-3-thiophen-2-ylpropanoyl]phenoxy]dodecoxy]phenyl]-3-thiophen-2-ylpropan-1-one
CID 139219894
(E)-1-[4-[8-[4-[(E)-1-hydroxy-1-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-2-enyl]phenoxy]octoxy]phenyl]-1-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-2-en-1-ol
CID 139219913
4-phenoxy-1-thiophen-2-ylbutan-1-ol
CID 114990149
N-[(E)-[(E)-1-[4-[3-[4-[(E)-N-anilino-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]phenoxy]propoxy]phenyl]-3-thiophen-2-ylprop-2-enylidene]amino]aniline
CID 139219881
(E)-3-thiophen-2-yl-1-[4-[4-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 139219860
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
phenyl 4-[5-(4-phenoxycarbonylphenoxy)pentoxy]benzoate
CID 134820825
[4-(12-anilinododecoxy)phenyl]-phenylmethanone
CID 15398969
(E)-3-thiophen-2-yl-1-[4-[3-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]propoxy]phenyl]prop-2-en-1-one
CID 139219859
(3-phenoxy-1-thiophen-2-ylpropyl)hydrazine
CID 105191394
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
5-[4-(5-benzoyloxypentoxy)phenoxy]pentyl benzoate
CID 139725792

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol?
The IUPAC name of (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol (CID 139219876) is (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol.
What is the SMILES notation for (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol?
The canonical SMILES for (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol is O/C(=C\C(NNc1ccccc1)c1cccs1)c1ccc(OCCCCCCOc2ccc(/C(O)=C/C(NNc3ccccc3)c3cccs3)cc2)cc1.
What is the InChIKey of (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol?
The InChIKey is RJLZVWDWGSQLSF-CMRZERMZSA-N. The full InChI is InChI=1S/C44H46N4O4S2/c49-41(31-39(43-17-11-29-53-43)47-45-35-13-5-3-6-14-35)33-19-23-37(24-20-33)51-27-9-1-2-10-28-52-38-25-21-34(22-26-38)42(50)32-40(44-18-12-30-54-44)48-46-36-15-7-4-8-16-36/h3-8,11-26,29-32,39-40,45-50H,1-2,9-10,27-28H2/b41-31-,42-32-.
What are the key properties of (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol?
(Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol has a molecular weight of 759.01 g/mol, XLogP of 11.34, 21 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[6-[4-[(Z)-1-hydroxy-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-enyl]phenoxy]hexoxy]phenyl]-3-(2-phenylhydrazinyl)-3-thiophen-2-ylprop-1-en-1-ol is sourced from PubChem (CID 139219876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).