1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol

C58H64N6O6 — CID 21058901

IUPAC1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol
SMILESCCN(CC)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(OCC(O)COCCCCOCC(O)COc2cc(N(CC)CC)ccc2/C=N/N=C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C58H64N6O6/c1-5-63(6-2)43-29-27-41(35-59-61-57-51-23-13-9-19-47(51)48-20-10-14-24-52(48)57)55(33-43)69-39-45(65)37-67-31-17-18-32-68-38-46(66)40-70-56-34-44(64(7-3)8-4)30-28-42(56)36-60-62-58-53-25-15-11-21-49(53)50-22-12-16-26-54(50)58/h9-16,19-30,33-36,45-46,65-66H,5-8,17-18,31-32,37-40H2,1-4H3/b59-35+,60-36+
InChIKeyPSTWFOUEPOPQAB-ZSAJQSOCSA-N
MW941.19 g/mol
LogP10.08
Rot. Bonds25

About 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol

1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol (PubChem CID 21058901) has the molecular formula C58H64N6O6 and a molecular weight of 941.19 g/mol. Its IUPAC name is 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol.

Molecular Properties

Compound Name1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol
PubChem CID21058901
Molecular FormulaC58H64N6O6
Molecular Weight941.19 g/mol
Exact Mass940.49
IUPAC Name1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol
SMILESCCN(CC)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(OCC(O)COCCCCOCC(O)COc2cc(N(CC)CC)ccc2/C=N/N=C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C58H64N6O6/c1-5-63(6-2)43-29-27-41(35-59-61-57-51-23-13-9-19-47(51)48-20-10-14-24-52(48)57)55(33-43)69-39-45(65)37-67-31-17-18-32-68-38-46(66)40-70-56-34-44(64(7-3)8-4)30-28-42(56)36-60-62-58-53-25-15-11-21-49(53)50-22-12-16-26-54(50)58/h9-16,19-30,33-36,45-46,65-66H,5-8,17-18,31-32,37-40H2,1-4H3/b59-35+,60-36+
InChIKeyPSTWFOUEPOPQAB-ZSAJQSOCSA-N
XLogP10.08
TPSA133.30 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 510.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol?
The IUPAC name of 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol (CID 21058901) is 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol.
What is the SMILES notation for 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol?
The canonical SMILES for 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol is CCN(CC)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(OCC(O)COCCCCOCC(O)COc2cc(N(CC)CC)ccc2/C=N/N=C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol?
The InChIKey is PSTWFOUEPOPQAB-ZSAJQSOCSA-N. The full InChI is InChI=1S/C58H64N6O6/c1-5-63(6-2)43-29-27-41(35-59-61-57-51-23-13-9-19-47(51)48-20-10-14-24-52(48)57)55(33-43)69-39-45(65)37-67-31-17-18-32-68-38-46(66)40-70-56-34-44(64(7-3)8-4)30-28-42(56)36-60-62-58-53-25-15-11-21-49(53)50-22-12-16-26-54(50)58/h9-16,19-30,33-36,45-46,65-66H,5-8,17-18,31-32,37-40H2,1-4H3/b59-35+,60-36+.
What are the key properties of 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol?
1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol has a molecular weight of 941.19 g/mol, XLogP of 10.08, 25 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]butoxy]propan-2-ol is sourced from PubChem (CID 21058901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).