4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane

C73H81Cl6NO16Si6 — CID 162223830

IUPAC4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane
SMILESCO[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(OC)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1.OCc1cc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2)cc(CO)n1
InChIInChI=1S/C50H60Cl6O13Si6.C23H21NO3/c1-57-70(58-2,45-21-9-39(33-51)10-22-45)65-72(61-5,47-25-13-41(35-53)14-26-47)67-74(63-7,49-29-17-43(37-55)18-30-49)69-75(64-8,50-31-19-44(38-56)20-32-50)68-73(62-6,48-27-15-42(36-54)16-28-48)66-71(59-3,60-4)46-23-11-40(34-52)12-24-46;25-15-21-13-20(14-22(16-26)24-21)8-7-18-3-1-17(2-4-18)5-6-19-9-11-23(27)12-10-19/h9-32H,33-38H2,1-8H3;1-14,25-27H,15-16H2/b;6-5+,8-7+
InChIKeyZUMHQPLVSXHPFB-VHMKQGPNSA-N
MW1609.68 g/mol
LogP11.86
Rot. Bonds36

About 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane

4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane (PubChem CID 162223830) has the molecular formula C73H81Cl6NO16Si6 and a molecular weight of 1609.68 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane
PubChem CID162223830
Molecular FormulaC73H81Cl6NO16Si6
Molecular Weight1609.68 g/mol
Exact Mass1605.23
IUPAC Name4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane
SMILESCO[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(OC)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1.OCc1cc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2)cc(CO)n1
InChIInChI=1S/C50H60Cl6O13Si6.C23H21NO3/c1-57-70(58-2,45-21-9-39(33-51)10-22-45)65-72(61-5,47-25-13-41(35-53)14-26-47)67-74(63-7,49-29-17-43(37-55)18-30-49)69-75(64-8,50-31-19-44(38-56)20-32-50)68-73(62-6,48-27-15-42(36-54)16-28-48)66-71(59-3,60-4)46-23-11-40(34-52)12-24-46;25-15-21-13-20(14-22(16-26)24-21)8-7-18-3-1-17(2-4-18)5-6-19-9-11-23(27)12-10-19/h9-32H,33-38H2,1-8H3;1-14,25-27H,15-16H2/b;6-5+,8-7+
InChIKeyZUMHQPLVSXHPFB-VHMKQGPNSA-N
XLogP11.86
TPSA193.57 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.68
LogP ≤ 511.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane (CID 162223830) is 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane is CO[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(OC)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1.OCc1cc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2)cc(CO)n1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane?
The InChIKey is ZUMHQPLVSXHPFB-VHMKQGPNSA-N. The full InChI is InChI=1S/C50H60Cl6O13Si6.C23H21NO3/c1-57-70(58-2,45-21-9-39(33-51)10-22-45)65-72(61-5,47-25-13-41(35-53)14-26-47)67-74(63-7,49-29-17-43(37-55)18-30-49)69-75(64-8,50-31-19-44(38-56)20-32-50)68-73(62-6,48-27-15-42(36-54)16-28-48)66-71(59-3,60-4)46-23-11-40(34-52)12-24-46;25-15-21-13-20(14-22(16-26)24-21)8-7-18-3-1-17(2-4-18)5-6-19-9-11-23(27)12-10-19/h9-32H,33-38H2,1-8H3;1-14,25-27H,15-16H2/b;6-5+,8-7+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane?
4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane has a molecular weight of 1609.68 g/mol, XLogP of 11.86, 36 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-[2,6-bis(hydroxymethyl)-4-pyridinyl]ethenyl]phenyl]ethenyl]phenol;[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane is sourced from PubChem (CID 162223830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).