4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol

C61H64N4O6 — CID 163945857

IUPAC4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol
SMILESCCCCCCCCCC(C)(c1ccc(O)cc1)c1ccc(Oc2cc(Oc3ccc(C(C)(C)c4ccc(Oc5cc(Oc6ccc(C(C)(C)c7ccc(O)cc7)cc6)ncn5)cc4)cc3)ncn2)cc1
InChIInChI=1S/C61H64N4O6/c1-7-8-9-10-11-12-13-38-61(6,47-16-28-50(67)29-17-47)48-24-36-54(37-25-48)71-58-40-57(64-42-65-58)70-53-34-22-46(23-35-53)60(4,5)45-20-32-52(33-21-45)69-56-39-55(62-41-63-56)68-51-30-18-44(19-31-51)59(2,3)43-14-26-49(66)27-15-43/h14-37,39-42,66-67H,7-13,38H2,1-6H3
InChIKeyAXLMOWVRUGRXCO-UHFFFAOYSA-N
MW949.21 g/mol
LogP15.95
Rot. Bonds22

About 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol

4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol (PubChem CID 163945857) has the molecular formula C61H64N4O6 and a molecular weight of 949.21 g/mol. Its IUPAC name is 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol
PubChem CID163945857
Molecular FormulaC61H64N4O6
Molecular Weight949.21 g/mol
Exact Mass948.48
IUPAC Name4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol
SMILESCCCCCCCCCC(C)(c1ccc(O)cc1)c1ccc(Oc2cc(Oc3ccc(C(C)(C)c4ccc(Oc5cc(Oc6ccc(C(C)(C)c7ccc(O)cc7)cc6)ncn5)cc4)cc3)ncn2)cc1
InChIInChI=1S/C61H64N4O6/c1-7-8-9-10-11-12-13-38-61(6,47-16-28-50(67)29-17-47)48-24-36-54(37-25-48)71-58-40-57(64-42-65-58)70-53-34-22-46(23-35-53)60(4,5)45-20-32-52(33-21-45)69-56-39-55(62-41-63-56)68-51-30-18-44(19-31-51)59(2,3)43-14-26-49(66)27-15-43/h14-37,39-42,66-67H,7-13,38H2,1-6H3
InChIKeyAXLMOWVRUGRXCO-UHFFFAOYSA-N
XLogP15.95
TPSA128.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.21
LogP ≤ 515.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol with MolForge

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Related Compounds

4-(3-Phenylphenoxy)-6-(2-butynyloxy)pyrimidine
CID 22599719
4,6-Bis[(4-tert-butylphenyl)methoxy]pyrimidine
CID 59155416
4,6-Bis(4-phenylmethoxyphenoxy)pyrimidine
CID 59155453
2-(4-(5-Methyl-6-(1-(pyrimidin-2-yl)piperidin-4-yloxy)pyrimidin-4-yloxy)phenyl)propane-1,3-diol
CID 67511933
(2S,4R,6R)-2-(hydroxymethyl)-6-[3-[[4-(6-methoxypyrimidin-4-yl)oxyphenyl]methyl]-4-methylphenyl]oxan-4-ol
CID 68203990
6-[2-(6-Hydroxynaphthalen-2-yl)oxypyrimidin-4-yl]oxynaphthalen-2-ol
CID 68432846
4-[4-[2-[4-(4-Hydroxyphenyl)phenoxy]-5-methylpyrimidin-4-yl]oxyphenyl]phenol
CID 68435247
4-[4-[6-[4-(4-Hydroxyphenyl)phenoxy]pyrimidin-4-yl]oxyphenyl]phenol
CID 68435468
4-[4-[2-[4-(4-Hydroxyphenyl)phenoxy]pyrimidin-4-yl]oxyphenyl]phenol
CID 68435622
6-[2-(6-Hydroxynaphthalen-2-yl)oxy-5-methylpyrimidin-4-yl]oxynaphthalen-2-ol
CID 68435735
6-[6-(6-Hydroxynaphthalen-2-yl)oxypyrimidin-4-yl]oxynaphthalen-2-ol
CID 68435738
4-[4-[2-[4-(4-Hydroxyphenyl)phenoxy]-6-methylpyrimidin-4-yl]oxyphenyl]phenol
CID 68435787

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol (CID 163945857) is 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol is CCCCCCCCCC(C)(c1ccc(O)cc1)c1ccc(Oc2cc(Oc3ccc(C(C)(C)c4ccc(Oc5cc(Oc6ccc(C(C)(C)c7ccc(O)cc7)cc6)ncn5)cc4)cc3)ncn2)cc1.
What is the InChIKey of 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol?
The InChIKey is AXLMOWVRUGRXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H64N4O6/c1-7-8-9-10-11-12-13-38-61(6,47-16-28-50(67)29-17-47)48-24-36-54(37-25-48)71-58-40-57(64-42-65-58)70-53-34-22-46(23-35-53)60(4,5)45-20-32-52(33-21-45)69-56-39-55(62-41-63-56)68-51-30-18-44(19-31-51)59(2,3)43-14-26-49(66)27-15-43/h14-37,39-42,66-67H,7-13,38H2,1-6H3.
What are the key properties of 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol?
4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol has a molecular weight of 949.21 g/mol, XLogP of 15.95, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[6-[4-[2-[4-[6-[4-[2-(4-hydroxyphenyl)undecan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]propan-2-yl]phenol is sourced from PubChem (CID 163945857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).