4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide

C50H52ClFN6O4P2 — CID 130444926

IUPAC4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESO=P1(C(c2ccc(Cl)cc2)N2CCOC(C3CN(c4ccccc4)P(=O)(C(c4ccc(F)cc4)N4CCOCC4)N3c3ccccc3)C2)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C50H52ClFN6O4P2/c51-41-25-21-39(22-26-41)50(63(59)55(43-13-5-1-6-14-43)29-30-56(63)44-15-7-2-8-16-44)54-33-36-62-48(38-54)47-37-57(45-17-9-3-10-18-45)64(60,58(47)46-19-11-4-12-20-46)49(53-31-34-61-35-32-53)40-23-27-42(52)28-24-40/h1-28,47-50H,29-38H2
InChIKeyRIYHUUZARMDGPN-UHFFFAOYSA-N
MW917.40 g/mol
LogP11.02
Rot. Bonds11

About 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide

4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 130444926) has the molecular formula C50H52ClFN6O4P2 and a molecular weight of 917.40 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID130444926
Molecular FormulaC50H52ClFN6O4P2
Molecular Weight917.40 g/mol
Exact Mass916.32
IUPAC Name4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESO=P1(C(c2ccc(Cl)cc2)N2CCOC(C3CN(c4ccccc4)P(=O)(C(c4ccc(F)cc4)N4CCOCC4)N3c3ccccc3)C2)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C50H52ClFN6O4P2/c51-41-25-21-39(22-26-41)50(63(59)55(43-13-5-1-6-14-43)29-30-56(63)44-15-7-2-8-16-44)54-33-36-62-48(38-54)47-37-57(45-17-9-3-10-18-45)64(60,58(47)46-19-11-4-12-20-46)49(53-31-34-61-35-32-53)40-23-27-42(52)28-24-40/h1-28,47-50H,29-38H2
InChIKeyRIYHUUZARMDGPN-UHFFFAOYSA-N
XLogP11.02
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.40
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide (CID 130444926) is 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide is O=P1(C(c2ccc(Cl)cc2)N2CCOC(C3CN(c4ccccc4)P(=O)(C(c4ccc(F)cc4)N4CCOCC4)N3c3ccccc3)C2)N(c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is RIYHUUZARMDGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H52ClFN6O4P2/c51-41-25-21-39(22-26-41)50(63(59)55(43-13-5-1-6-14-43)29-30-56(63)44-15-7-2-8-16-44)54-33-36-62-48(38-54)47-37-57(45-17-9-3-10-18-45)64(60,58(47)46-19-11-4-12-20-46)49(53-31-34-61-35-32-53)40-23-27-42(52)28-24-40/h1-28,47-50H,29-38H2.
What are the key properties of 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 917.40 g/mol, XLogP of 11.02, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]morpholin-2-yl]-2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 130444926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).