(4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine

C20H26ClN2P — CID 134471350

IUPAC(4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine
SMILESCC(C)N1[C@H](c2ccccc2)[C@@H](c2ccccc2)N(C(C)C)P1Cl
InChIInChI=1S/C20H26ClN2P/c1-15(2)22-19(17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)23(16(3)4)24(22)21/h5-16,19-20H,1-4H3/t19-,20-/m1/s1
InChIKeyMEXYLBITTPOCGE-WOJBJXKFSA-N
MW360.87 g/mol
LogP6.37
Rot. Bonds4

About (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine

(4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine (PubChem CID 134471350) has the molecular formula C20H26ClN2P and a molecular weight of 360.87 g/mol. Its IUPAC name is (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine.

Molecular Properties

Compound Name(4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine
PubChem CID134471350
Molecular FormulaC20H26ClN2P
Molecular Weight360.87 g/mol
Exact Mass360.15
IUPAC Name(4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine
SMILESCC(C)N1[C@H](c2ccccc2)[C@@H](c2ccccc2)N(C(C)C)P1Cl
InChIInChI=1S/C20H26ClN2P/c1-15(2)22-19(17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)23(16(3)4)24(22)21/h5-16,19-20H,1-4H3/t19-,20-/m1/s1
InChIKeyMEXYLBITTPOCGE-WOJBJXKFSA-N
XLogP6.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.87
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine?
The IUPAC name of (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine (CID 134471350) is (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine.
What is the SMILES notation for (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine?
The canonical SMILES for (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine is CC(C)N1[C@H](c2ccccc2)[C@@H](c2ccccc2)N(C(C)C)P1Cl.
What is the InChIKey of (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine?
The InChIKey is MEXYLBITTPOCGE-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H26ClN2P/c1-15(2)22-19(17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)23(16(3)4)24(22)21/h5-16,19-20H,1-4H3/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine?
(4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine has a molecular weight of 360.87 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-chloro-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidine is sourced from PubChem (CID 134471350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).