(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide

C28H26N2OP+ — CID 138962724

IUPAC(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
SMILESO=[P+]1N(Cc2ccccc2)C(c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C28H26N2OP/c31-32-29(21-23-13-5-1-6-14-23)27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30(32)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/q+1/t27-,28?/m1/s1
InChIKeyPQOWIURFGWDNSV-QXPUDEPPSA-N
MW437.50 g/mol
LogP7.14
Rot. Bonds6

About (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide

(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide (PubChem CID 138962724) has the molecular formula C28H26N2OP+ and a molecular weight of 437.50 g/mol. Its IUPAC name is (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide.

Molecular Properties

Compound Name(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
PubChem CID138962724
Molecular FormulaC28H26N2OP+
Molecular Weight437.50 g/mol
Exact Mass437.18
IUPAC Name(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
SMILESO=[P+]1N(Cc2ccccc2)C(c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C28H26N2OP/c31-32-29(21-23-13-5-1-6-14-23)27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30(32)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/q+1/t27-,28?/m1/s1
InChIKeyPQOWIURFGWDNSV-QXPUDEPPSA-N
XLogP7.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 57.14
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

(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
1-benzyl-2,4,5-triphenylimidazolidine
CID 12733567
1-[(2S,3S)-1-benzyl-3-phenylaziridin-2-yl]ethanone
CID 23243955
2-benzyl-4-phenyltriazetidine
CID 121323485
2-benzyl-4-thiophen-3-yloxazetidin-3-one
CID 13301281
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774
methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948
(1R,2S,5S)-3-benzyl-2-phenyl-3-azabicyclo[3.1.0]hexane
CID 10857864
(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
CID 1236505

Frequently Asked Questions

What is the IUPAC name of (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide?
The IUPAC name of (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide (CID 138962724) is (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide.
What is the SMILES notation for (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide?
The canonical SMILES for (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide is O=[P+]1N(Cc2ccccc2)C(c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide?
The InChIKey is PQOWIURFGWDNSV-QXPUDEPPSA-N. The full InChI is InChI=1S/C28H26N2OP/c31-32-29(21-23-13-5-1-6-14-23)27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30(32)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/q+1/t27-,28?/m1/s1.
What are the key properties of (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide?
(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide has a molecular weight of 437.50 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide is sourced from PubChem (CID 138962724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).