(5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane

C27H42N6O5P2 — CID 4610001

IUPAC(5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane
SMILESCn1cc(P(=Nc2ccccc2)(N2CCOCC2)N2CCOCC2)cc1P(=O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C27H42N6O5P2/c1-29-24-26(23-27(29)40(34,32-11-19-37-20-12-32)33-13-21-38-22-14-33)39(30-7-15-35-16-8-30,31-9-17-36-18-10-31)28-25-5-3-2-4-6-25/h2-6,23-24H,7-22H2,1H3
InChIKeyCJJWWXNAFDELDM-UHFFFAOYSA-N
MW592.62 g/mol
LogP2.16
Rot. Bonds7

About (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane

(5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane (PubChem CID 4610001) has the molecular formula C27H42N6O5P2 and a molecular weight of 592.62 g/mol. Its IUPAC name is (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane.

Molecular Properties

Compound Name(5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane
PubChem CID4610001
Molecular FormulaC27H42N6O5P2
Molecular Weight592.62 g/mol
Exact Mass592.27
IUPAC Name(5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane
SMILESCn1cc(P(=Nc2ccccc2)(N2CCOCC2)N2CCOCC2)cc1P(=O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C27H42N6O5P2/c1-29-24-26(23-27(29)40(34,32-11-19-37-20-12-32)33-13-21-38-22-14-33)39(30-7-15-35-16-8-30,31-9-17-36-18-10-31)28-25-5-3-2-4-6-25/h2-6,23-24H,7-22H2,1H3
InChIKeyCJJWWXNAFDELDM-UHFFFAOYSA-N
XLogP2.16
TPSA84.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.62
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane?
The IUPAC name of (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane (CID 4610001) is (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane.
What is the SMILES notation for (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane?
The canonical SMILES for (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane is Cn1cc(P(=Nc2ccccc2)(N2CCOCC2)N2CCOCC2)cc1P(=O)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane?
The InChIKey is CJJWWXNAFDELDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O5P2/c1-29-24-26(23-27(29)40(34,32-11-19-37-20-12-32)33-13-21-38-22-14-33)39(30-7-15-35-16-8-30,31-9-17-36-18-10-31)28-25-5-3-2-4-6-25/h2-6,23-24H,7-22H2,1H3.
What are the key properties of (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane?
(5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane has a molecular weight of 592.62 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-dimorpholin-4-ylphosphoryl-1-methylpyrrol-3-yl)-dimorpholin-4-yl-phenylimino-λ5-phosphane is sourced from PubChem (CID 4610001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).