neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium

C30H46NdO2P+ — CID 87238694

IUPACneodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium
SMILESCCCCCCCCCc1ccc(O[P+](=O)c2ccc(CCCCCCCCC)cc2)cc1.[Nd]
InChIInChI=1S/C30H46O2P.Nd/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-33(31)30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;/h19-26H,3-18H2,1-2H3;/q+1;
InChIKeyDJLBPSAWOUKYHT-UHFFFAOYSA-N
MW613.91 g/mol
LogP9.72
Rot. Bonds19

About neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium

neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium (PubChem CID 87238694) has the molecular formula C30H46NdO2P+ and a molecular weight of 613.91 g/mol. Its IUPAC name is neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium.

Molecular Properties

Compound Nameneodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium
PubChem CID87238694
Molecular FormulaC30H46NdO2P+
Molecular Weight613.91 g/mol
Exact Mass611.23
IUPAC Nameneodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium
SMILESCCCCCCCCCc1ccc(O[P+](=O)c2ccc(CCCCCCCCC)cc2)cc1.[Nd]
InChIInChI=1S/C30H46O2P.Nd/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-33(31)30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;/h19-26H,3-18H2,1-2H3;/q+1;
InChIKeyDJLBPSAWOUKYHT-UHFFFAOYSA-N
XLogP9.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.91
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
(2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium
CID 175829557
(4-octylphenoxy)-oxophosphanium
CID 123939155
1-butyl-4-nonylbenzene
CID 59545302
1-hexoxy-4-pentylbenzene
CID 54277450
CID 59959489
CID 59959489
tris(4-hexadecylphenyl) phosphate
CID 139663142
(4-decylphenyl) acetate
CID 57064765
[4-(4-nonylphenyl)phenyl] hydrogen carbonate
CID 67830948
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
bis(4-pentylphenyl) sulfate
CID 69378529

Frequently Asked Questions

What is the IUPAC name of neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium?
The IUPAC name of neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium (CID 87238694) is neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium.
What is the SMILES notation for neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium?
The canonical SMILES for neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium is CCCCCCCCCc1ccc(O[P+](=O)c2ccc(CCCCCCCCC)cc2)cc1.[Nd].
What is the InChIKey of neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium?
The InChIKey is DJLBPSAWOUKYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2P.Nd/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-33(31)30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;/h19-26H,3-18H2,1-2H3;/q+1;.
What are the key properties of neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium?
neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium has a molecular weight of 613.91 g/mol, XLogP of 9.72, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium is sourced from PubChem (CID 87238694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).