diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane

C28H24N2P+ — CID 102374415

IUPACdiphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane
SMILESc1ccc(-n2cc[n+](Cc3ccccc3P(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C28H24N2P/c1-4-13-25(14-5-1)30-21-20-29(23-30)22-24-12-10-11-19-28(24)31(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-21,23H,22H2/q+1
InChIKeyFQRSYYSXNKIONL-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.57
Rot. Bonds6

About diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane

diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane (PubChem CID 102374415) has the molecular formula C28H24N2P+ and a molecular weight of 419.49 g/mol. Its IUPAC name is diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane
PubChem CID102374415
Molecular FormulaC28H24N2P+
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Namediphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane
SMILESc1ccc(-n2cc[n+](Cc3ccccc3P(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C28H24N2P/c1-4-13-25(14-5-1)30-21-20-29(23-30)22-24-12-10-11-19-28(24)31(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-21,23H,22H2/q+1
InChIKeyFQRSYYSXNKIONL-UHFFFAOYSA-N
XLogP4.57
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-[4-(3-phenylimidazol-1-ium-1-yl)but-2-ynyl]imidazol-3-ium
CID 101486119
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
1-benzyl-3-(4-fluorophenyl)imidazol-1-ium chloride
CID 172863618
1,3-bis[2-(3-phenylimidazol-1-ium-1-yl)ethyl]imidazol-1-ium
CID 177499669
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
disodium;hydroxy-[1-hydroxy-2-(3-phenylimidazol-1-ium-1-yl)-1-phosphonatoethyl]phosphinate
CID 121350811
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183
11-(3-phenylimidazol-1-ium-1-yl)undecanoic acid
CID 122675072

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane (CID 102374415) is diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane is c1ccc(-n2cc[n+](Cc3ccccc3P(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane?
The InChIKey is FQRSYYSXNKIONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2P/c1-4-13-25(14-5-1)30-21-20-29(23-30)22-24-12-10-11-19-28(24)31(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-21,23H,22H2/q+1.
What are the key properties of diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane?
diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane has a molecular weight of 419.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(3-phenylimidazol-1-ium-1-yl)methyl]phenyl]phosphane is sourced from PubChem (CID 102374415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).