[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol

C67H130N9O13P3 — CID 165163740

IUPAC[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol
SMILESCCCCCCCCCCCCN1CCN(C)C1=NP(=O)(OCC1OCCC1OP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OCC1OCCC1OP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC(C)(C)C)OC1CCOC1CO
InChIInChI=1S/C67H130N9O13P3/c1-10-13-16-19-22-25-28-31-34-37-43-74-49-46-71(7)64(74)68-90(78,86-58-40-52-81-61(58)55-77)84-56-62-59(41-53-82-62)87-91(79,69-65-72(8)47-50-75(65)44-38-35-32-29-26-23-20-17-14-11-2)85-57-63-60(42-54-83-63)88-92(80,89-67(4,5)6)70-66-73(9)48-51-76(66)45-39-36-33-30-27-24-21-18-15-12-3/h58-63,77H,10-57H2,1-9H3
InChIKeyLJWIINKHFNBMPJ-UHFFFAOYSA-N
MW1362.75 g/mol
LogP15.25
Rot. Bonds50

About [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol

[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol (PubChem CID 165163740) has the molecular formula C67H130N9O13P3 and a molecular weight of 1362.75 g/mol. Its IUPAC name is [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol
PubChem CID165163740
Molecular FormulaC67H130N9O13P3
Molecular Weight1362.75 g/mol
Exact Mass1361.90
IUPAC Name[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol
SMILESCCCCCCCCCCCCN1CCN(C)C1=NP(=O)(OCC1OCCC1OP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OCC1OCCC1OP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC(C)(C)C)OC1CCOC1CO
InChIInChI=1S/C67H130N9O13P3/c1-10-13-16-19-22-25-28-31-34-37-43-74-49-46-71(7)64(74)68-90(78,86-58-40-52-81-61(58)55-77)84-56-62-59(41-53-82-62)87-91(79,69-65-72(8)47-50-75(65)44-38-35-32-29-26-23-20-17-14-11-2)85-57-63-60(42-54-83-63)88-92(80,89-67(4,5)6)70-66-73(9)48-51-76(66)45-39-36-33-30-27-24-21-18-15-12-3/h58-63,77H,10-57H2,1-9H3
InChIKeyLJWIINKHFNBMPJ-UHFFFAOYSA-N
XLogP15.25
TPSA211.03 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds50
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001362.75
LogP ≤ 515.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol?
The IUPAC name of [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol (CID 165163740) is [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol.
What is the SMILES notation for [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol?
The canonical SMILES for [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol is CCCCCCCCCCCCN1CCN(C)C1=NP(=O)(OCC1OCCC1OP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OCC1OCCC1OP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC(C)(C)C)OC1CCOC1CO.
What is the InChIKey of [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol?
The InChIKey is LJWIINKHFNBMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H130N9O13P3/c1-10-13-16-19-22-25-28-31-34-37-43-74-49-46-71(7)64(74)68-90(78,86-58-40-52-81-61(58)55-77)84-56-62-59(41-53-82-62)87-91(79,69-65-72(8)47-50-75(65)44-38-35-32-29-26-23-20-17-14-11-2)85-57-63-60(42-54-83-63)88-92(80,89-67(4,5)6)70-66-73(9)48-51-76(66)45-39-36-33-30-27-24-21-18-15-12-3/h58-63,77H,10-57H2,1-9H3.
What are the key properties of [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol?
[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol has a molecular weight of 1362.75 g/mol, XLogP of 15.25, 50 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol is sourced from PubChem (CID 165163740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).