2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

C28H21N2OP — CID 58399910

IUPAC2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccc3ccccc3c2)N(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C28H21N2OP/c31-32(26-20-19-22-11-7-8-12-23(22)21-26)29(24-13-3-1-4-14-24)27-17-9-10-18-28(27)30(32)25-15-5-2-6-16-25/h1-21H
InChIKeyFGIMDMVQKHTOFX-UHFFFAOYSA-N
MW432.46 g/mol
LogP7.65
Rot. Bonds3

About 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide

2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 58399910) has the molecular formula C28H21N2OP and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

Compound Name2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
PubChem CID58399910
Molecular FormulaC28H21N2OP
Molecular Weight432.46 g/mol
Exact Mass432.14
IUPAC Name2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccc3ccccc3c2)N(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C28H21N2OP/c31-32(26-20-19-22-11-7-8-12-23(22)21-26)29(24-13-3-1-4-14-24)27-17-9-10-18-28(27)30(32)25-15-5-2-6-16-25/h1-21H
InChIKeyFGIMDMVQKHTOFX-UHFFFAOYSA-N
XLogP7.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide
CID 58399913
2-[3-(2-hydroxy-1,3-diphenyl-1,3,2-benzodiazaphosphol-2-ium-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 70887268
2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 158143516
4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide
CID 158734796
2-[5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-2,4-diphenylphenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-5-phenylphenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[4-(2-oxo-1,3,5,6-tetraphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3,5,6-tetraphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 158078699
1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535949
2-[4-(5,6-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole-5,6-dicarbonitrile
CID 58400019
2-naphthalen-1-yl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399888
1,3,4,5-tetraphenyl-2-(4-phenylphenyl)-1,3,2λ5-diazaphosphole 2-oxide
CID 58400030
5-dibenzofuran-2-yl-2-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;5-(10-naphthalen-2-ylanthracen-9-yl)-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 161034000
5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide
CID 58399840
2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 160945748

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
The IUPAC name of 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 58399910) is 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide.
What is the SMILES notation for 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
The canonical SMILES for 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2ccc3ccccc3c2)N(c2ccccc2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
The InChIKey is FGIMDMVQKHTOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N2OP/c31-32(26-20-19-22-11-7-8-12-23(22)21-26)29(24-13-3-1-4-14-24)27-17-9-10-18-28(27)30(32)25-15-5-2-6-16-25/h1-21H.
What are the key properties of 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide?
2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 432.46 g/mol, XLogP of 7.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 58399910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).