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

C69H70N6O6 — CID 21058900

IUPAC1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
SMILESCCN(CC)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(OCC(O)COc2ccc(C(C)(C)c3ccc(OCC(O)COc4cc(N(CC)CC)ccc4/C=N/N=C4c5ccccc5-c5ccccc54)cc3)cc2)c1
InChIInChI=1S/C69H70N6O6/c1-7-74(8-2)51-33-27-47(41-70-72-67-61-23-15-11-19-57(61)58-20-12-16-24-62(58)67)65(39-51)80-45-53(76)43-78-55-35-29-49(30-36-55)69(5,6)50-31-37-56(38-32-50)79-44-54(77)46-81-66-40-52(75(9-3)10-4)34-28-48(66)42-71-73-68-63-25-17-13-21-59(63)60-22-14-18-26-64(60)68/h11-42,53-54,76-77H,7-10,43-46H2,1-6H3/b70-41+,71-42+
InChIKeyTZGFHPIPXDAYFY-JDVMGZEWSA-N
MW1079.35 g/mol
LogP13.05
Rot. Bonds24

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

1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol (PubChem CID 21058900) has the molecular formula C69H70N6O6 and a molecular weight of 1079.35 g/mol. Its IUPAC name is 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
PubChem CID21058900
Molecular FormulaC69H70N6O6
Molecular Weight1079.35 g/mol
Exact Mass1078.54
IUPAC Name1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
SMILESCCN(CC)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(OCC(O)COc2ccc(C(C)(C)c3ccc(OCC(O)COc4cc(N(CC)CC)ccc4/C=N/N=C4c5ccccc5-c5ccccc54)cc3)cc2)c1
InChIInChI=1S/C69H70N6O6/c1-7-74(8-2)51-33-27-47(41-70-72-67-61-23-15-11-19-57(61)58-20-12-16-24-62(58)67)65(39-51)80-45-53(76)43-78-55-35-29-49(30-36-55)69(5,6)50-31-37-56(38-32-50)79-44-54(77)46-81-66-40-52(75(9-3)10-4)34-28-48(66)42-71-73-68-63-25-17-13-21-59(63)60-22-14-18-26-64(60)68/h11-42,53-54,76-77H,7-10,43-46H2,1-6H3/b70-41+,71-42+
InChIKeyTZGFHPIPXDAYFY-JDVMGZEWSA-N
XLogP13.05
TPSA133.30 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.35
LogP ≤ 513.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol with MolForge

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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-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol (CID 21058900) is 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol is CCN(CC)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(OCC(O)COc2ccc(C(C)(C)c3ccc(OCC(O)COc4cc(N(CC)CC)ccc4/C=N/N=C4c5ccccc5-c5ccccc54)cc3)cc2)c1.
What is the InChIKey of 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
The InChIKey is TZGFHPIPXDAYFY-JDVMGZEWSA-N. The full InChI is InChI=1S/C69H70N6O6/c1-7-74(8-2)51-33-27-47(41-70-72-67-61-23-15-11-19-57(61)58-20-12-16-24-62(58)67)65(39-51)80-45-53(76)43-78-55-35-29-49(30-36-55)69(5,6)50-31-37-56(38-32-50)79-44-54(77)46-81-66-40-52(75(9-3)10-4)34-28-48(66)42-71-73-68-63-25-17-13-21-59(63)60-22-14-18-26-64(60)68/h11-42,53-54,76-77H,7-10,43-46H2,1-6H3/b70-41+,71-42+.
What are the key properties of 1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol?
1-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-3-[4-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol has a molecular weight of 1079.35 g/mol, XLogP of 13.05, 24 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-[2-[4-[3-[5-(diethylamino)-2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 21058900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).