diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane

C29H35N2O2P — CID 143697389

IUPACdiethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane
SMILESCC.CCOP(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)OCC
InChIInChI=1S/C27H29N2O2P.C2H6/c1-3-30-32(31-4-2)21-26-20-29(22-28-26)27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25;1-2/h5-20,22H,3-4,21H2,1-2H3;1-2H3
InChIKeyCUGXXBVQRGVWGM-UHFFFAOYSA-N
MW474.59 g/mol
LogP7.63
Rot. Bonds10

About diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane

diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane (PubChem CID 143697389) has the molecular formula C29H35N2O2P and a molecular weight of 474.59 g/mol. Its IUPAC name is diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane.

Molecular Properties

Compound Namediethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane
PubChem CID143697389
Molecular FormulaC29H35N2O2P
Molecular Weight474.59 g/mol
Exact Mass474.24
IUPAC Namediethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane
SMILESCC.CCOP(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)OCC
InChIInChI=1S/C27H29N2O2P.C2H6/c1-3-30-32(31-4-2)21-26-20-29(22-28-26)27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25;1-2/h5-20,22H,3-4,21H2,1-2H3;1-2H3
InChIKeyCUGXXBVQRGVWGM-UHFFFAOYSA-N
XLogP7.63
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane?
The IUPAC name of diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane (CID 143697389) is diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane.
What is the SMILES notation for diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane?
The canonical SMILES for diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane is CC.CCOP(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)OCC.
What is the InChIKey of diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane?
The InChIKey is CUGXXBVQRGVWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N2O2P.C2H6/c1-3-30-32(31-4-2)21-26-20-29(22-28-26)27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25;1-2/h5-20,22H,3-4,21H2,1-2H3;1-2H3.
What are the key properties of diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane?
diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane has a molecular weight of 474.59 g/mol, XLogP of 7.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(1-tritylimidazol-4-yl)methyl]phosphane;ethane is sourced from PubChem (CID 143697389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).