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

C64H124N9O13P3 — CID 165163735

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]-methoxyphosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol
SMILESCCCCCCCCCCCCN1CCN(C)C1=NP(=O)(OC)OC1CCOC1COP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC1CCOC1COP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC1CCOC1CO
InChIInChI=1S/C64H124N9O13P3/c1-8-11-14-17-20-23-26-29-32-35-41-71-47-44-68(4)62(71)65-87(75,78-7)84-57-39-51-80-60(57)54-83-89(77,67-64-70(6)46-49-73(64)43-37-34-31-28-25-22-19-16-13-10-3)86-58-40-52-81-61(58)55-82-88(76,85-56-38-50-79-59(56)53-74)66-63-69(5)45-48-72(63)42-36-33-30-27-24-21-18-15-12-9-2/h56-61,74H,8-55H2,1-7H3
InChIKeyCEZHSCGDXNXBRP-UHFFFAOYSA-N
MW1320.67 g/mol
LogP14.08
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]-methoxyphosphoryl]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]-methoxyphosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol (PubChem CID 165163735) has the molecular formula C64H124N9O13P3 and a molecular weight of 1320.67 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]-methoxyphosphoryl]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]-methoxyphosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol
PubChem CID165163735
Molecular FormulaC64H124N9O13P3
Molecular Weight1320.67 g/mol
Exact Mass1319.85
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]-methoxyphosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol
SMILESCCCCCCCCCCCCN1CCN(C)C1=NP(=O)(OC)OC1CCOC1COP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC1CCOC1COP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC1CCOC1CO
InChIInChI=1S/C64H124N9O13P3/c1-8-11-14-17-20-23-26-29-32-35-41-71-47-44-68(4)62(71)65-87(75,78-7)84-57-39-51-80-60(57)54-83-89(77,67-64-70(6)46-49-73(64)43-37-34-31-28-25-22-19-16-13-10-3)86-58-40-52-81-61(58)55-82-88(76,85-56-38-50-79-59(56)53-74)66-63-69(5)45-48-72(63)42-36-33-30-27-24-21-18-15-12-9-2/h56-61,74H,8-55H2,1-7H3
InChIKeyCEZHSCGDXNXBRP-UHFFFAOYSA-N
XLogP14.08
TPSA211.03 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds50
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001320.67
LogP ≤ 514.08
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]-methoxyphosphoryl]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]-methoxyphosphoryl]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]-methoxyphosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol (CID 165163735) 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]-methoxyphosphoryl]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]-methoxyphosphoryl]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]-methoxyphosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol is CCCCCCCCCCCCN1CCN(C)C1=NP(=O)(OC)OC1CCOC1COP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC1CCOC1COP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)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]-methoxyphosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol?
The InChIKey is CEZHSCGDXNXBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H124N9O13P3/c1-8-11-14-17-20-23-26-29-32-35-41-71-47-44-68(4)62(71)65-87(75,78-7)84-57-39-51-80-60(57)54-83-89(77,67-64-70(6)46-49-73(64)43-37-34-31-28-25-22-19-16-13-10-3)86-58-40-52-81-61(58)55-82-88(76,85-56-38-50-79-59(56)53-74)66-63-69(5)45-48-72(63)42-36-33-30-27-24-21-18-15-12-9-2/h56-61,74H,8-55H2,1-7H3.
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]-methoxyphosphoryl]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]-methoxyphosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol has a molecular weight of 1320.67 g/mol, XLogP of 14.08, 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]-methoxyphosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol is sourced from PubChem (CID 165163735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).