5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide

C16H15N2O2P — CID 1392346

IUPAC5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide
SMILESO=P1(O)CC(c2ccccc2)=NN=C(c2ccccc2)C1
InChIInChI=1S/C16H15N2O2P/c19-21(20)11-15(13-7-3-1-4-8-13)17-18-16(12-21)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)
InChIKeyDXJNOAAATUNVKB-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.16
Rot. Bonds2

About 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide

5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide (PubChem CID 1392346) has the molecular formula C16H15N2O2P and a molecular weight of 298.28 g/mol. Its IUPAC name is 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide.

Molecular Properties

Compound Name5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide
PubChem CID1392346
Molecular FormulaC16H15N2O2P
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide
SMILESO=P1(O)CC(c2ccccc2)=NN=C(c2ccccc2)C1
InChIInChI=1S/C16H15N2O2P/c19-21(20)11-15(13-7-3-1-4-8-13)17-18-16(12-21)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)
InChIKeyDXJNOAAATUNVKB-UHFFFAOYSA-N
XLogP3.16
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 91231324
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(4Z,6Z)-4,7-diphenyl-3,8-dihydro-1,2,5,6-dithiadiazocine 1-oxide
CID 135077878
ethyl 5-phenyl-4H-pyrazole-3-carboxylate
CID 45069301
bis(1,1'-biphenyl);phosphonous acid
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5-phenyl-3,4-dihydropyrrol-2-one
CID 122467040
butane;3-methyl-5-phenyl-4H-pyrazole
CID 91042720
6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 25138423
3-phenyl-4H-1,2-thiazol-5-one
CID 58432995
1,1'-biphenyl;3H-diazaphosphirene
CID 146196746
benzene;tris(1,1'-biphenyl)
CID 162155747
2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone
CID 162074670

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide?
The IUPAC name of 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide (CID 1392346) is 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide.
What is the SMILES notation for 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide?
The canonical SMILES for 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide is O=P1(O)CC(c2ccccc2)=NN=C(c2ccccc2)C1.
What is the InChIKey of 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide?
The InChIKey is DXJNOAAATUNVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O2P/c19-21(20)11-15(13-7-3-1-4-8-13)17-18-16(12-21)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20).
What are the key properties of 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide?
5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide has a molecular weight of 298.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide is sourced from PubChem (CID 1392346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).