(1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide

C26H22NOP — CID 23420649

IUPAC(1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide
SMILESO=[P@]1(c2ccccc2)c2ccccc2[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C26H22NOP/c28-29(23-16-8-3-9-17-23)25-19-11-10-18-24(25)26(22-14-6-2-7-15-22)27(29)20-21-12-4-1-5-13-21/h1-19,26H,20H2/t26-,29-/m1/s1
InChIKeyOGHQOUGCHNXMNY-GGXMVOPNSA-N
MW395.44 g/mol
LogP5.52
Rot. Bonds4

About (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide

(1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide (PubChem CID 23420649) has the molecular formula C26H22NOP and a molecular weight of 395.44 g/mol. Its IUPAC name is (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide.

Molecular Properties

Compound Name(1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide
PubChem CID23420649
Molecular FormulaC26H22NOP
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name(1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide
SMILESO=[P@]1(c2ccccc2)c2ccccc2[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C26H22NOP/c28-29(23-16-8-3-9-17-23)25-19-11-10-18-24(25)26(22-14-6-2-7-15-22)27(29)20-21-12-4-1-5-13-21/h1-19,26H,20H2/t26-,29-/m1/s1
InChIKeyOGHQOUGCHNXMNY-GGXMVOPNSA-N
XLogP5.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.52
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

(1R,3S)-2-tert-butyl-1,3-diphenyl-3H-2,1lambda5-benzazaphosphole 1-oxide
CID 10915400
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549
(S)-[(1R,3S,3aR,6R)-2-benzyl-1-oxo-1,3-diphenyl-3a,6-dihydro-3H-2,1λ5-benzazaphosphol-6-yl]-phenylmethanol
CID 11038440
3-benzyl-4-phenyl-4H-quinazolin-2-amine
CID 12628948
(3aS,7aS)-1-benzyl-2,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide
CID 71130666
(6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide
CID 177435233
11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
CID 134395999
1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
CID 3058098
2-benzyl-5-chloro-3-phenyl-3H-isoindol-1-one
CID 132543851
(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
CID 138962724
1-benzyl-2-phenyl-2,4-dihydropyridin-3-one
CID 159923351
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
CID 69032798

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
The IUPAC name of (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide (CID 23420649) is (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide.
What is the SMILES notation for (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
The canonical SMILES for (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide is O=[P@]1(c2ccccc2)c2ccccc2[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
The InChIKey is OGHQOUGCHNXMNY-GGXMVOPNSA-N. The full InChI is InChI=1S/C26H22NOP/c28-29(23-16-8-3-9-17-23)25-19-11-10-18-24(25)26(22-14-6-2-7-15-22)27(29)20-21-12-4-1-5-13-21/h1-19,26H,20H2/t26-,29-/m1/s1.
What are the key properties of (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
(1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide has a molecular weight of 395.44 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-2-benzyl-1,3-diphenyl-3H-2,1λ5-benzazaphosphole 1-oxide is sourced from PubChem (CID 23420649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).