(5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane

C29H28N2P2 — CID 123175296

IUPAC(5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane
SMILESCN1CN(C)C(P(c2ccccc2)c2ccccc2)=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N2P2/c1-30-23-31(2)29(33(26-19-11-5-12-20-26)27-21-13-6-14-22-27)28(30)32(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22H,23H2,1-2H3
InChIKeyNOSONGGUMKQTCJ-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.21
Rot. Bonds6

About (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane

(5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane (PubChem CID 123175296) has the molecular formula C29H28N2P2 and a molecular weight of 466.51 g/mol. Its IUPAC name is (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane.

Molecular Properties

Compound Name(5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane
PubChem CID123175296
Molecular FormulaC29H28N2P2
Molecular Weight466.51 g/mol
Exact Mass466.17
IUPAC Name(5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane
SMILESCN1CN(C)C(P(c2ccccc2)c2ccccc2)=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N2P2/c1-30-23-31(2)29(33(26-19-11-5-12-20-26)27-21-13-6-14-22-27)28(30)32(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22H,23H2,1-2H3
InChIKeyNOSONGGUMKQTCJ-UHFFFAOYSA-N
XLogP5.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane?
The IUPAC name of (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane (CID 123175296) is (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane.
What is the SMILES notation for (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane?
The canonical SMILES for (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane is CN1CN(C)C(P(c2ccccc2)c2ccccc2)=C1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane?
The InChIKey is NOSONGGUMKQTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2P2/c1-30-23-31(2)29(33(26-19-11-5-12-20-26)27-21-13-6-14-22-27)28(30)32(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22H,23H2,1-2H3.
What are the key properties of (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane?
(5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane has a molecular weight of 466.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane is sourced from PubChem (CID 123175296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).