(4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide

C21H29N2OP — CID 135033737

IUPAC(4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCC(C)N1[C@@H](c2ccccc2)[C@H](c2ccccc2)N(C(C)C)P1(C)=O
InChIInChI=1S/C21H29N2OP/c1-16(2)22-20(18-12-8-6-9-13-18)21(19-14-10-7-11-15-19)23(17(3)4)25(22,5)24/h6-17,20-21H,1-5H3/t20-,21-/m0/s1
InChIKeyKRNKKSNMCAEOJI-SFTDATJTSA-N
MW356.45 g/mol
LogP5.73
Rot. Bonds4

About (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide

(4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 135033737) has the molecular formula C21H29N2OP and a molecular weight of 356.45 g/mol. Its IUPAC name is (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name(4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID135033737
Molecular FormulaC21H29N2OP
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name(4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCC(C)N1[C@@H](c2ccccc2)[C@H](c2ccccc2)N(C(C)C)P1(C)=O
InChIInChI=1S/C21H29N2OP/c1-16(2)22-20(18-12-8-6-9-13-18)21(19-14-10-7-11-15-19)23(17(3)4)25(22,5)24/h6-17,20-21H,1-5H3/t20-,21-/m0/s1
InChIKeyKRNKKSNMCAEOJI-SFTDATJTSA-N
XLogP5.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.73
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

(E)-N-[(4S,5S)-2-oxido-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-ium-2-yl]-1-phenylmethanimine
CID 177413293
(4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine
CID 134471350
(2R,3R)-2,3-diphenyl-1-propan-2-ylazetidine
CID 100941434
5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 175254602
1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
(3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten
CID 177462596
(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
CID 10015778
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
1-[(3S,3aR,7aR)-1-oxo-1,3-diphenyl-3a,7a-dihydro-3H-2,1λ5-benzazaphosphol-2-yl]-1-phenylpropan-2-amine
CID 57373622
(E)-1-[(3aR,7aR)-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol
CID 10248961
oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole
CID 174974261
(E)-1-[(3aR,7aR)-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-one
CID 5471631

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide (CID 135033737) is (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide is CC(C)N1[C@@H](c2ccccc2)[C@H](c2ccccc2)N(C(C)C)P1(C)=O.
What is the InChIKey of (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is KRNKKSNMCAEOJI-SFTDATJTSA-N. The full InChI is InChI=1S/C21H29N2OP/c1-16(2)22-20(18-12-8-6-9-13-18)21(19-14-10-7-11-15-19)23(17(3)4)25(22,5)24/h6-17,20-21H,1-5H3/t20-,21-/m0/s1.
What are the key properties of (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
(4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 356.45 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 135033737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).