sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide

C102H129BrNaO6P — CID 157225173

IUPACsodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide
SMILESC=CCCCCCCCCOc1ccc(C=Cc2ccc(C=Cc3ccc(OCCCCCCCCC)cc3)cc2)cc1.C=CCCCCCCCCOc1ccc(C=Cc2ccc(C=O)cc2)cc1.CCCCCCCCCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CC[O-].[Br-].[Na+]
InChIInChI=1S/C41H54O2.C34H40OP.C25H30O2.C2H5O.BrH.Na/c1-3-5-7-9-11-13-15-17-35-43-41-32-28-39(29-33-41)25-23-37-20-18-36(19-21-37)22-24-38-26-30-40(31-27-38)42-34-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-17-28-35-31-26-24-30(25-27-31)29-36(32-18-11-8-12-19-32,33-20-13-9-14-21-33)34-22-15-10-16-23-34;1-2-3-4-5-6-7-8-9-20-27-25-18-16-23(17-19-25)11-10-22-12-14-24(21-26)15-13-22;1-2-3;;/h3,18-33H,1,4-17,34-35H2,2H3;8-16,18-27H,2-7,17,28-29H2,1H3;2,10-19,21H,1,3-9,20H2;2H2,1H3;1H;/q;+1;;-1;;+1/p-1
InChIKeyIUQOIRPOQRZEHP-UHFFFAOYSA-M
MW1585.02 g/mol
LogP21.10
Rot. Bonds50

About sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide

sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide (PubChem CID 157225173) has the molecular formula C102H129BrNaO6P and a molecular weight of 1585.02 g/mol. Its IUPAC name is sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide.

Molecular Properties

Compound Namesodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide
PubChem CID157225173
Molecular FormulaC102H129BrNaO6P
Molecular Weight1585.02 g/mol
Exact Mass1582.86
IUPAC Namesodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide
SMILESC=CCCCCCCCCOc1ccc(C=Cc2ccc(C=Cc3ccc(OCCCCCCCCC)cc3)cc2)cc1.C=CCCCCCCCCOc1ccc(C=Cc2ccc(C=O)cc2)cc1.CCCCCCCCCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CC[O-].[Br-].[Na+]
InChIInChI=1S/C41H54O2.C34H40OP.C25H30O2.C2H5O.BrH.Na/c1-3-5-7-9-11-13-15-17-35-43-41-32-28-39(29-33-41)25-23-37-20-18-36(19-21-37)22-24-38-26-30-40(31-27-38)42-34-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-17-28-35-31-26-24-30(25-27-31)29-36(32-18-11-8-12-19-32,33-20-13-9-14-21-33)34-22-15-10-16-23-34;1-2-3-4-5-6-7-8-9-20-27-25-18-16-23(17-19-25)11-10-22-12-14-24(21-26)15-13-22;1-2-3;;/h3,18-33H,1,4-17,34-35H2,2H3;8-16,18-27H,2-7,17,28-29H2,1H3;2,10-19,21H,1,3-9,20H2;2H2,1H3;1H;/q;+1;;-1;;+1/p-1
InChIKeyIUQOIRPOQRZEHP-UHFFFAOYSA-M
XLogP21.10
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds50
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001585.02
LogP ≤ 521.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide with MolForge

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Related Compounds

(4-butoxyphenyl)methyl-triphenylphosphanium acetate
CID 87191199
4-(4-formylphenoxy)butyl-triphenylphosphanium bromide
CID 159011152
4-icosoxybenzaldehyde
CID 23127488
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483
[4-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium chloride
CID 23124752
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
ethanol;4-octadecoxybenzaldehyde
CID 158692714
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
1-methoxypropylbenzene;4-(4-octoxyphenyl)benzaldehyde
CID 143115067
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470

Frequently Asked Questions

What is the IUPAC name of sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide?
The IUPAC name of sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide (CID 157225173) is sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide.
What is the SMILES notation for sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide?
The canonical SMILES for sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide is C=CCCCCCCCCOc1ccc(C=Cc2ccc(C=Cc3ccc(OCCCCCCCCC)cc3)cc2)cc1.C=CCCCCCCCCOc1ccc(C=Cc2ccc(C=O)cc2)cc1.CCCCCCCCCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CC[O-].[Br-].[Na+].
What is the InChIKey of sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide?
The InChIKey is IUQOIRPOQRZEHP-UHFFFAOYSA-M. The full InChI is InChI=1S/C41H54O2.C34H40OP.C25H30O2.C2H5O.BrH.Na/c1-3-5-7-9-11-13-15-17-35-43-41-32-28-39(29-33-41)25-23-37-20-18-36(19-21-37)22-24-38-26-30-40(31-27-38)42-34-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-17-28-35-31-26-24-30(25-27-31)29-36(32-18-11-8-12-19-32,33-20-13-9-14-21-33)34-22-15-10-16-23-34;1-2-3-4-5-6-7-8-9-20-27-25-18-16-23(17-19-25)11-10-22-12-14-24(21-26)15-13-22;1-2-3;;/h3,18-33H,1,4-17,34-35H2,2H3;8-16,18-27H,2-7,17,28-29H2,1H3;2,10-19,21H,1,3-9,20H2;2H2,1H3;1H;/q;+1;;-1;;+1/p-1.
What are the key properties of sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide?
sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide has a molecular weight of 1585.02 g/mol, XLogP of 21.10, 50 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-dec-9-enoxy-4-[2-[4-[2-(4-nonoxyphenyl)ethenyl]phenyl]ethenyl]benzene;4-[2-(4-dec-9-enoxyphenyl)ethenyl]benzaldehyde;ethanolate;(4-nonoxyphenyl)methyl-triphenylphosphanium;bromide is sourced from PubChem (CID 157225173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).