[5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde

C20H14N4O3P2 — CID 59610149

IUPAC[5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde
SMILESO=CPc1ncc(-c2ccc3c(c2)oc2cc(-c4cnc(PC=O)[nH]4)ccc23)[nH]1
InChIInChI=1S/C20H14N4O3P2/c25-9-28-19-21-7-15(23-19)11-1-3-13-14-4-2-12(6-18(14)27-17(13)5-11)16-8-22-20(24-16)29-10-26/h1-10,28-29H,(H,21,23)(H,22,24)
InChIKeyTVBXAEKBYFADKX-UHFFFAOYSA-N
MW420.31 g/mol
LogP3.35
Rot. Bonds6

About [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde

[5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde (PubChem CID 59610149) has the molecular formula C20H14N4O3P2 and a molecular weight of 420.31 g/mol. Its IUPAC name is [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde.

Molecular Properties

Compound Name[5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde
PubChem CID59610149
Molecular FormulaC20H14N4O3P2
Molecular Weight420.31 g/mol
Exact Mass420.05
IUPAC Name[5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde
SMILESO=CPc1ncc(-c2ccc3c(c2)oc2cc(-c4cnc(PC=O)[nH]4)ccc23)[nH]1
InChIInChI=1S/C20H14N4O3P2/c25-9-28-19-21-7-15(23-19)11-1-3-13-14-4-2-12(6-18(14)27-17(13)5-11)16-8-22-20(24-16)29-10-26/h1-10,28-29H,(H,21,23)(H,22,24)
InChIKeyTVBXAEKBYFADKX-UHFFFAOYSA-N
XLogP3.35
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole
CID 118569264
3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
CID 116883887
5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 137392078
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde
CID 122476118
4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 157122152
4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one
CID 175627263
5-[2-(chloromethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116878109
2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine
CID 164799736

Frequently Asked Questions

What is the IUPAC name of [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde?
The IUPAC name of [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde (CID 59610149) is [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde.
What is the SMILES notation for [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde?
The canonical SMILES for [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde is O=CPc1ncc(-c2ccc3c(c2)oc2cc(-c4cnc(PC=O)[nH]4)ccc23)[nH]1.
What is the InChIKey of [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde?
The InChIKey is TVBXAEKBYFADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3P2/c25-9-28-19-21-7-15(23-19)11-1-3-13-14-4-2-12(6-18(14)27-17(13)5-11)16-8-22-20(24-16)29-10-26/h1-10,28-29H,(H,21,23)(H,22,24).
What are the key properties of [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde?
[5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde has a molecular weight of 420.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[7-(2-formylphosphanyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-1H-imidazol-2-yl]phosphanylformaldehyde is sourced from PubChem (CID 59610149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).